#------------------------------------------------------------------------------
#$Date: 2021-09-06 12:37:19 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268595 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/84/7128458.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7128458
loop_
_publ_author_name
'Aguirre Quintana, Luis M.'
'Yang, Yan'
'Ramanathan, Arun'
'Jiang, Ningxin'
'Bacsa, John'
'Maron, Laurent'
'La Pierre, Henry S.'
_publ_section_title
;
 Chalcogen-atom abstraction reactions of a Di-iron imidophosphorane
 complex.
;
_journal_issue                   54
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              6664
_journal_page_last               6667
_journal_paper_doi               10.1039/d1cc02195h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_moiety         'C60 H120 Fe2 N16 P4'
_chemical_formula_sum            'C60 H120 Fe2 N16 P4'
_chemical_formula_weight         1301.29
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-01-23
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_audit_update_record
;
2021-04-14 deposited with the CCDC.	2021-06-07 downloaded from the CCDC.
;
_cell_angle_alpha                95.749(6)
_cell_angle_beta                 92.265(6)
_cell_angle_gamma                90.151(6)
_cell_formula_units_Z            4
_cell_length_a                   15.746(2)
_cell_length_b                   20.493(3)
_cell_length_c                   21.460(3)
_cell_measurement_reflns_used    9285
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      2.261
_cell_volume                     6884.4(16)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_collection       'APEX2  v2016.5-1 (Bruker, 2014)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2013)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 7.495
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  'multilayer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0892
_diffrn_reflns_av_unetI/netI     0.0474
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            337894
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.508
_diffrn_reflns_theta_min         1.909
_diffrn_source                   'microfocus sealed tube'
_diffrn_source_current           1.4
_diffrn_source_power             0.067
_diffrn_source_voltage           50
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.564
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.6360
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS v.2016/2. (Krause, L. et al, 2015)'
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    1.256
_exptl_crystal_description       prism
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.394
_exptl_crystal_size_mid          0.309
_exptl_crystal_size_min          0.264
_refine_diff_density_max         1.127
_refine_diff_density_min         -0.821
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1651
_refine_ls_number_reflns         42043
_refine_ls_number_restraints     20354
_refine_ls_restrained_S_all      1.236
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0491
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0355P)²+9.1150P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1147
_refine_ls_wR_factor_ref         0.1227
_reflns_Friedel_coverage         0.000
_reflns_number_gt                34238
_reflns_number_total             42043
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cc02195h2.cif
_cod_data_source_block           laq-2-056_fe
_cod_depositor_comments
'Adding full bibliography for 7128454--7128458.cif.'
_cod_original_cell_volume        6884.3(18)
_cod_database_code               7128458
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
2. Restrained distances
 P7-N2_17 \\sim P7-N2_16 \\sim P5-N2_12 \\sim P5-N2_14 \\sim P5-N2_11 \\sim
P1-N2_5 \\sim P1-N2_4 \\sim P1-
 N2_1 \\sim P4-N2_2 \\sim P4-N2_22 \\sim P4-N2_3 \\sim P3-N2_10 \\sim P3-N2_8
\\sim P3-N2_9 \\sim P8-N2_13
 \\sim P8-N2_21 \\sim P8-N2_23 \\sim P7-N2_19 \\sim P7-N2_18 \\sim P6-N2_25
\\sim P6-N2_20 \\sim P6-N2_15 ~
 P2-N2_7 \\sim P2-N2_6 \\sim P2-N5 \\sim P2-N2_24
 with sigma of 0.004
 C1_11-H1A_11 \\sim C1_11-H1B_11 \\sim C5_11-H5A_11 \\sim C5_11-H5B_11 \\sim
C1_12-H1A_12 ~
 C1_12-H1B_12 \\sim C5_12-H5A_12 \\sim C5_12-H5B_12 \\sim C1_14-H1A_14 \\sim
C1_14-H1B_14 ~
 C5_14-H5A_14 \\sim C5_14-H5B_14 \\sim C1_15-H1A_15 \\sim C1_15-H1B_15 \\sim
C5_15-H5A_15 ~
 C5_15-H5B_15 \\sim C1_20-H1A_20 \\sim C1_20-H1B_20 \\sim C5_20-H5A_20 \\sim
C5_20-H5B_20 ~
 C1_25-H1A_25 \\sim C1_25-H1B_25 \\sim C5_25-H5A_25 \\sim C5_25-H5B_25 \\sim
C1_13-H1A_13 ~
 C1_13-H1B_13 \\sim C5_13-H5A_13 \\sim C5_13-H5B_13 \\sim C1_21-H1A_21 \\sim
C1_21-H1B_21 ~
 C5_21-H5A_21 \\sim C5_21-H5B_21 \\sim C1_23-H1A_23 \\sim C1_23-H1B_23 \\sim
C5_23-H5A_23 ~
 C5_23-H5B_23 \\sim C2_11-H2A_11 \\sim C2_11-H2B_11 \\sim C4_11-H4A_11 \\sim
C4_11-H4B_11 ~
 C2_12-H2A_12 \\sim C2_12-H2B_12 \\sim C4_12-H4A_12 \\sim C4_12-H4B_12 \\sim
C2_14-H2A_14 ~
 C2_14-H2B_14 \\sim C4_14-H4A_14 \\sim C4_14-H4B_14 \\sim C2_15-H2A_15 \\sim
C2_15-H2B_15 ~
 C4_15-H4A_15 \\sim C4_15-H4B_15 \\sim C2_20-H2A_20 \\sim C2_20-H2B_20 \\sim
C4_20-H4A_20 ~
 C4_20-H4B_20 \\sim C2_25-H2A_25 \\sim C2_25-H2B_25 \\sim C4_25-H4A_25 \\sim
C4_25-H4B_25 ~
 C2_13-H2A_13 \\sim C2_13-H2B_13 \\sim C4_13-H4A_13 \\sim C4_13-H4B_13 \\sim
C2_21-H2A_21 ~
 C2_21-H2B_21 \\sim C4_21-H4A_21 \\sim C4_21-H4B_21 \\sim C2_23-H2A_23 \\sim
C2_23-H2B_23 ~
 C4_23-H4A_23 \\sim C4_23-H4B_23 \\sim C3_11-H3A_11 \\sim C3_11-H3B_11 \\sim
C3_12-H3A_12 ~
 C3_12-H3B_12 \\sim C3_14-H3A_14 \\sim C3_14-H3B_14 \\sim C1_16-H1A_16 \\sim
C1_16-H1B_16 ~
 C5_16-H5A_16 \\sim C5_16-H5B_16 \\sim C1_17-H1A_17 \\sim C1_17-H1B_17 \\sim
C5_17-H5A_17 ~
 C5_17-H5B_17 \\sim C1_18-H1A_18 \\sim C1_18-H1B_18 \\sim C5_18-H5A_18 \\sim
C5_18-H5B_18 ~
 C1_19-H1A_19 \\sim C1_19-H1B_19 \\sim C5_19-H5A_19 \\sim C5_19-H5B_19 \\sim
C3_15-H3A_15 ~
 C3_15-H3B_15 \\sim C3_20-H3A_20 \\sim C3_20-H3B_20 \\sim C3_25-H3A_25 \\sim
C3_25-H3B_25 ~
 C3_13-H3A_13 \\sim C3_13-H3B_13 \\sim C3_21-H3A_21 \\sim C3_21-H3B_21 \\sim
C3_23-H3A_23 ~
 C3_23-H3B_23 \\sim C2_16-H2A_16 \\sim C2_16-H2B_16 \\sim C4_16-H4A_16 \\sim
C4_16-H4B_16 ~
 C2_17-H2A_17 \\sim C2_17-H2B_17 \\sim C4_17-H4A_17 \\sim C4_17-H4B_17 \\sim
C2_18-H2A_18 ~
 C2_18-H2B_18 \\sim C4_18-H4A_18 \\sim C4_18-H4B_18 \\sim C2_19-H2A_19 \\sim
C2_19-H2B_19 ~
 C4_19-H4A_19 \\sim C4_19-H4B_19 \\sim C3_16-H3A_16 \\sim C3_16-H3B_16 \\sim
C3_17-H3A_17 ~
 C3_17-H3B_17 \\sim C3_18-H3A_18 \\sim C3_18-H3B_18 \\sim C3_19-H3A_19 \\sim
C3_19-H3B_19
 with sigma of 0.002
 C1_1-H1A_1 \\sim C1_1-H1B_1 \\sim C5_1-H5A_1 \\sim C5_1-H5B_1 \\sim C1_4-H1A_4
\\sim C1_4-H1B_4 ~
 C5_4-H5A_4 \\sim C5_4-H5B_4 \\sim C1_5-H1A_5 \\sim C1_5-H1B_5 \\sim C5_5-H5A_5
\\sim C5_5-H5B_5 ~
 C1_6-H1A_6 \\sim C1_6-H1B_6 \\sim C5_6-H5A_6 \\sim C5_6-H5B_6 \\sim C1_7-H1A_7
\\sim C1_7-H1B_7 ~
 C5_7-H5A_7 \\sim C5_7-H5B_7 \\sim C1_24-H1A_24 \\sim C1_24-H1B_24 \\sim
C5_24-H5A_24 \\sim C5_24-
 H5B_24 \\sim C1_2-H1A_2 \\sim C1_2-H1B_2 \\sim C5_2-H5A_2 \\sim C5_2-H5B_2
\\sim C1_3-H1A_3 \\sim C1_3-
 H1B_3 \\sim C5_3-H5A_3 \\sim C5_3-H5B_3 \\sim C1_22-H1A_22 \\sim C1_22-H1B_22
\\sim C5_22-H5A_22 ~
 C5_22-H5B_22 \\sim C2_1-H2A_1 \\sim C2_1-H2B_1 \\sim C4_1-H4A_1 \\sim
C4_1-H4B_1 \\sim C2_4-H2A_4
 \\sim C2_4-H2B_4 \\sim C4_4-H4A_4 \\sim C4_4-H4B_4 \\sim C2_5-H2A_5 \\sim
C2_5-H2B_5 \\sim C4_5-H4A_5
 \\sim C4_5-H4B_5 \\sim C2_6-H2A_6 \\sim C2_6-H2B_6 \\sim C4_6-H4A_6 \\sim
C4_6-H4B_6 \\sim C2_7-H2A_7
 \\sim C2_7-H2B_7 \\sim C4_7-H4A_7 \\sim C4_7-H4B_7 \\sim C2_24-H2A_24 \\sim
C2_24-H2B_24 \\sim C4_24-
 H4A_24 \\sim C4_24-H4B_24 \\sim C2_2-H2A_2 \\sim C2_2-H2B_2 \\sim C4_2-H4A_2
\\sim C4_2-H4B_2 ~
 C2_3-H2A_3 \\sim C2_3-H2B_3 \\sim C4_3-H4A_3 \\sim C4_3-H4B_3 \\sim
C2_22-H2A_22 \\sim C2_22-
 H2B_22 \\sim C4_22-H4A_22 \\sim C4_22-H4B_22 \\sim C3_1-H3A_1 \\sim C3_1-H3B_1
\\sim C3_4-H3A_4 ~
 C3_4-H3B_4 \\sim C3_5-H3A_5 \\sim C3_5-H3B_5 \\sim C1_8-H1A_8 \\sim C1_8-H1B_8
\\sim C5_8-H5A_8 ~
 C5_8-H5B_8 \\sim C1_9-H1A_9 \\sim C1_9-H1B_9 \\sim C5_9-H5A_9 \\sim C5_9-H5B_9
\\sim C1_10-H1A_10
 \\sim C1_10-H1B_10 \\sim C5_10-H5A_10 \\sim C5_10-H5B_10 \\sim C3_6-H3A_6
\\sim C3_6-H3B_6 \\sim C3_7-
 H3A_7 \\sim C3_7-H3B_7 \\sim C3_24-H3A_24 \\sim C3_24-H3B_24 \\sim C3_2-H3A_2
\\sim C3_2-H3B_2 ~
 C3_3-H3A_3 \\sim C3_3-H3B_3 \\sim C3_22-H3A_22 \\sim C3_22-H3B_22 \\sim
C2_8-H2A_8 \\sim C2_8-
 H2B_8 \\sim C4_8-H4A_8 \\sim C4_8-H4B_8 \\sim C2_9-H2A_9 \\sim C2_9-H2B_9
\\sim C4_9-H4A_9 \\sim C4_9-
 H4B_9 \\sim C2_10-H2A_10 \\sim C2_10-H2B_10 \\sim C4_10-H4A_10 \\sim
C4_10-H4B_10 \\sim C3_8-H3A_8
 \\sim C3_8-H3B_8 \\sim C3_9-H3A_9 \\sim C3_9-H3B_9 \\sim C3_10-H3A_10 \\sim
C3_10-H3B_10
 with sigma of 0.002
3. Uiso/Uaniso restraints and constraints
Uanis(N2_16) = Uanis(N2_17)
Uiso(H1A_1) = Uiso(H5A_13) = Uiso(H2A_20) = Uiso(H1B_1) = Uiso(H1A_17) =
Uiso(H2A_1) = Uiso(H3A_23) = Uiso(H2B_1) = Uiso(H3A_15) = Uiso(H3A_1) =
Uiso(H4A_18) = Uiso(H3B_1) = Uiso(H5A_21) = Uiso(H4A_1) = Uiso(H1A_25) =
Uiso(H4B_1) = Uiso(H4A_14) = Uiso(H5A_1) = Uiso(H2A_16) = Uiso(H5B_1) =
Uiso(H5A_17) = Uiso(H1A_2) = Uiso(H3A_19) = Uiso(H1B_2) = Uiso(H1A_21) =
Uiso(H2A_2) = Uiso(H4A_22) = Uiso(H2B_2) = Uiso(H2A_24) = Uiso(H3A_2) =
Uiso(H5A_25) = Uiso(H3B_2) = Uiso(H2A_14) = Uiso(H4A_2) = Uiso(H1A_15) =
Uiso(H4B_2) = Uiso(H5A_15) = Uiso(H5A_2) = Uiso(H4A_16) = Uiso(H5B_2) =
Uiso(H3A_17) = Uiso(H1A_3) = Uiso(H2A_18) = Uiso(H1B_3) = Uiso(H1A_19) =
Uiso(H2A_3) = Uiso(H5A_19) = Uiso(H2B_3) = Uiso(H4A_20) = Uiso(H3A_3) =
Uiso(H3A_21) = Uiso(H3B_3) = Uiso(H2A_22) = Uiso(H4A_3) = Uiso(H1A_23) =
Uiso(H4B_3) = Uiso(H5A_23) = Uiso(H5A_3) = Uiso(H4A_24) = Uiso(H5B_3) =
Uiso(H3A_25) = Uiso(H1A_4) = Uiso(H4A_13) = Uiso(H1B_4) = Uiso(H1A_14) =
Uiso(H2A_4) = Uiso(H3A_14) = Uiso(H2B_4) = Uiso(H5A_14) = Uiso(H3A_4) =
Uiso(H2A_15) = Uiso(H3B_4) = Uiso(H4A_15) = Uiso(H4A_4) = Uiso(H1A_16) =
Uiso(H4B_4) = Uiso(H3A_16) = Uiso(H5A_4) = Uiso(H5A_16) = Uiso(H5B_4) =
Uiso(H2A_17) = Uiso(H1A_5) = Uiso(H4A_17) = Uiso(H1B_5) = Uiso(H1A_18) =
Uiso(H2A_5) = Uiso(H3A_18) = Uiso(H2B_5) = Uiso(H5A_18) = Uiso(H3A_5) =
Uiso(H2A_19) = Uiso(H3B_5) = Uiso(H4A_19) = Uiso(H4A_5) = Uiso(H1A_20) =
Uiso(H4B_5) = Uiso(H3A_20) = Uiso(H5A_5) = Uiso(H5A_20) = Uiso(H5B_5) =
Uiso(H2A_21) = Uiso(H1A_6) = Uiso(H4A_21) = Uiso(H1B_6) = Uiso(H1A_22) =
Uiso(H2A_6) = Uiso(H3A_22) = Uiso(H2B_6) = Uiso(H5A_22) = Uiso(H3A_6) =
Uiso(H2A_23) = Uiso(H3B_6) = Uiso(H4A_23) = Uiso(H4A_6) = Uiso(H1A_24) =
Uiso(H4B_6) = Uiso(H3A_24) = Uiso(H5A_6) = Uiso(H5A_24) = Uiso(H5B_6) =
Uiso(H2A_25) = Uiso(H1A_7) = Uiso(H4A_25) = Uiso(H1B_7) = Uiso(H3B_13) =
Uiso(H2A_7) = Uiso(H4B_13) = Uiso(H2B_7) = Uiso(H5B_13) = Uiso(H3A_7) =
Uiso(H1B_14) = Uiso(H3B_7) = Uiso(H2B_14) = Uiso(H4A_7) = Uiso(H3B_14) =
Uiso(H4B_7) = Uiso(H4B_14) = Uiso(H5A_7) = Uiso(H5B_14) = Uiso(H5B_7) =
Uiso(H1B_15) = Uiso(H1A_8) = Uiso(H2B_15) = Uiso(H1B_8) = Uiso(H3B_15) =
Uiso(H2A_8) = Uiso(H4B_15) = Uiso(H2B_8) = Uiso(H5B_15) = Uiso(H3A_8) =
Uiso(H1B_16) = Uiso(H3B_8) = Uiso(H2B_16) = Uiso(H4A_8) = Uiso(H3B_16) =
Uiso(H4B_8) = Uiso(H4B_16) = Uiso(H5A_8) = Uiso(H5B_16) = Uiso(H5B_8) =
Uiso(H1B_17) = Uiso(H1A_9) = Uiso(H2B_17) = Uiso(H1B_9) = Uiso(H3B_17) =
Uiso(H2A_9) = Uiso(H4B_17) = Uiso(H2B_9) = Uiso(H5B_17) = Uiso(H3A_9) =
Uiso(H1B_18) = Uiso(H3B_9) = Uiso(H2B_18) = Uiso(H4A_9) = Uiso(H3B_18) =
Uiso(H4B_9) = Uiso(H4B_18) = Uiso(H5A_9) = Uiso(H5B_18) = Uiso(H5B_9) =
Uiso(H1B_19) = Uiso(H1A_10) = Uiso(H2B_19) = Uiso(H1B_10) = Uiso(H3B_19) =
Uiso(H2A_10) = Uiso(H4B_19) = Uiso(H2B_10) = Uiso(H5B_19) = Uiso(H3A_10) =
Uiso(H1B_20) = Uiso(H3B_10) = Uiso(H2B_20) = Uiso(H4A_10) = Uiso(H3B_20) =
Uiso(H4B_10) = Uiso(H4B_20) = Uiso(H5A_10) = Uiso(H5B_20) = Uiso(H5B_10) =
Uiso(H1B_21) = Uiso(H1A_11) = Uiso(H2B_21) = Uiso(H1B_11) = Uiso(H3B_21) =
Uiso(H2A_11) = Uiso(H4B_21) = Uiso(H2B_11) = Uiso(H5B_21) = Uiso(H3A_11) =
Uiso(H1B_22) = Uiso(H3B_11) = Uiso(H2B_22) = Uiso(H4A_11) = Uiso(H3B_22) =
Uiso(H4B_11) = Uiso(H4B_22) = Uiso(H5A_11) = Uiso(H5B_22) = Uiso(H5B_11) =
Uiso(H1B_23) = Uiso(H1A_12) = Uiso(H2B_23) = Uiso(H1B_12) = Uiso(H3B_23) =
Uiso(H2A_12) = Uiso(H4B_23) = Uiso(H2B_12) = Uiso(H5B_23) = Uiso(H3A_12) =
Uiso(H1B_24) = Uiso(H3B_12) = Uiso(H2B_24) = Uiso(H4A_12) = Uiso(H3B_24) =
Uiso(H4B_12) = Uiso(H4B_24) = Uiso(H5A_12) = Uiso(H5B_24) = Uiso(H5B_12) =
Uiso(H1B_25) = Uiso(H1A_13) = Uiso(H2B_25) = Uiso(H1B_13) = Uiso(H3B_25) =
Uiso(H2A_13) = Uiso(H4B_25) = Uiso(H2B_13) = Uiso(H5B_25) = Uiso(H3A_13)
4. Rigid body (RIGU) restrains
 N2_1, C1_1, C2_1, C3_1, C4_1, C5_1
 N2_2, C1_2, C2_2, C3_2, C4_2, C5_2
 N2_3, C1_3, C2_3, C3_3, C4_3, C5_3
 N2_4, C1_4, C2_4, C3_4, C4_4, C5_4
 N2_5, C1_5, C2_5, C3_5, C4_5, C5_5
 N2_6, C1_6, C2_6, C3_6, C4_6, C5_6
 N2_7, C1_7, C2_7, C3_7, C4_7, C5_7
 N2_8, C1_8, C2_8, C3_8, C4_8, C5_8
 N2_9, C1_9, C2_9, C3_9, C4_9, C5_9
 N2_10, C1_10, C2_10, C3_10, C4_10, C5_10
 N2_11, C1_11, C2_11, C3_11, C4_11, C5_11
 N2_12, C1_12, C2_12, C3_12, C4_12, C5_12
 N2_13, C1_13, C2_13, C3_13, C4_13, C5_13
 N2_14, C1_14, C2_14, C3_14, C4_14, C5_14
 N2_15, C1_15, C2_15, C3_15, C4_15, C5_15
 N2_16, C1_16, C2_16, C3_16, C4_16, C5_16
 N2_17, C1_17, C2_17, C3_17, C4_17, C5_17
 N2_18, C1_18, C2_18, C3_18, C4_18, C5_18
 N2_19, C1_19, C2_19, C3_19, C4_19, C5_19
 N2_20, C1_20, C2_20, C3_20, C4_20, C5_20
 N2_21, C1_21, C2_21, C3_21, C4_21, C5_21
 N2_22, C1_22, C2_22, C3_22, C4_22, C5_22
 N2_23, C1_23, C2_23, C3_23, C4_23, C5_23
 N2_24, C1_24, C2_24, C3_24, C4_24, C5_24
 N2_25, C1_25, C2_25, C3_25, C4_25, C5_25
 with sigma for 1-2 distances of 0.0002 and sigma for 1-3 distances of 0.004
 P3, N9
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 N1, P1
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
5. Same fragment restrains
{N2_2, C1_2, C2_2, C3_2, C4_2, C5_2}
{N2_3, C1_3, C2_3, C3_3, C4_3, C5_3}
{N2_4, C1_4, C2_4, C3_4, C4_4, C5_4}
{N2_5, C1_5, C2_5, C3_5, C4_5, C5_5}
{N2_6, C1_6, C2_6, C3_6, C4_6, C5_6}
{N2_7, C1_7, C2_7, C3_7, C4_7, C5_7}
{N2_8, C1_8, C2_8, C3_8, C4_8, C5_8}
{N2_9, C1_9, C2_9, C3_9, C4_9, C5_9}
{N2_10, C1_10, C2_10, C3_10, C4_10, C5_10}
{N2_11, C1_11, C2_11, C3_11, C4_11, C5_11}
{N2_12, C1_12, C2_12, C3_12, C4_12, C5_12}
{N2_13, C1_13, C2_13, C3_13, C4_13, C5_13}
{N2_14, C1_14, C2_14, C3_14, C4_14, C5_14}
{N2_15, C1_15, C2_15, C3_15, C4_15, C5_15}
{N2_16, C1_16, C2_16, C3_16, C4_16, C5_16}
{N2_17, C1_17, C2_17, C3_17, C4_17, C5_17}
{N2_18, C1_18, C2_18, C3_18, C4_18, C5_18}
{N2_19, C1_19, C2_19, C3_19, C4_19, C5_19}
{N2_20, C1_20, C2_20, C3_20, C4_20, C5_20}
{N2_21, C1_21, C2_21, C3_21, C4_21, C5_21}
{N2_22, C1_22, C2_22, C3_22, C4_22, C5_22}
{N2_23, C1_23, C2_23, C3_23, C4_23, C5_23}
{N2_24, C1_24, C2_24, C3_24, C4_24, C5_24}
{N2_25, C1_25, C2_25, C3_25, C4_25, C5_25}
as
{N2_1, C1_1, C2_1, C3_1, C4_1, C5_1} sigma for 1-2: 0.002 1-3: 0.004
6. Others
 Sof(N2)=Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=
 Sof(H3B)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C5)=Sof(H5A)=Sof(H5B)=1-FVAR(1)
 Sof(N2)=Sof(C1)=Sof(H1A)=Sof(H1B)=Sof(C2)=Sof(H2A)=Sof(H2B)=Sof(C3)=Sof(H3A)=
 Sof(H3B)=Sof(C4)=Sof(H4A)=Sof(H4B)=Sof(C5)=Sof(H5A)=Sof(H5B)=FVAR(1)
7.a Secondary CH2 refined with riding coordinates and stretchable bonds:
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B),
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B),
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B),
 C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B),
 C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B),
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B),
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B),
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B),
 C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B),
 C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B),
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B),
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B),
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B),
 C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B),
 C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B),
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B),
 C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B),
 C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B),
 C4(H4A,H4B), C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B),
 C5(H5A,H5B), C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B),
 C1(H1A,H1B), C2(H2A,H2B), C3(H3A,H3B), C4(H4A,H4B), C5(H5A,H5B)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Fe1 Fe 0.96866(2) 0.30777(2) 0.73653(2) 0.01469(5) Uani 1 1 d . . . . .
Fe2 Fe 0.80596(2) 0.28610(2) 0.74538(2) 0.01410(5) Uani 1 1 d . . . . .
P1 P 1.10950(3) 0.41142(2) 0.74655(2) 0.01711(9) Uani 1 1 d D . . . .
P3 P 0.60582(3) 0.32411(2) 0.76487(2) 0.01406(8) Uani 1 1 d D . . . .
P4 P 0.86172(3) 0.26779(2) 0.60397(2) 0.01458(9) Uani 1 1 d D . . . .
N1 N 1.07997(10) 0.33930(9) 0.73344(8) 0.0204(3) Uani 1 1 d . . . . .
N5 N 0.90148(10) 0.28086(8) 0.80332(7) 0.0177(3) Uani 1 1 d D . . . .
N9 N 0.68888(10) 0.28789(8) 0.75195(8) 0.0191(3) Uani 1 1 d . . . . .
N13 N 0.87579(10) 0.29775(8) 0.67303(7) 0.0172(3) Uani 1 1 d . . . . .
Fe3 Fe 0.67588(2) 0.77861(2) 0.74422(2) 0.01641(6) Uani 1 1 d . . . . .
Fe4 Fe 0.51479(2) 0.80607(2) 0.73315(2) 0.02012(6) Uani 1 1 d . . . . .
P5 P 0.87375(3) 0.82910(3) 0.76617(2) 0.01890(9) Uani 1 1 d D . . . .
P7 P 0.38286(3) 0.91820(3) 0.74272(2) 0.02215(10) Uani 1 1 d D . . . .
N17 N 0.79308(11) 0.78753(9) 0.75389(8) 0.0227(3) Uani 1 1 d . . . . .
N21 N 0.58486(11) 0.78090(9) 0.80389(8) 0.0221(3) Uani 1 1 d . . . . .
N25 N 0.40936(13) 0.84620(11) 0.72848(9) 0.0337(5) Uani 1 1 d . . . . .
N29 N 0.59760(11) 0.77816(8) 0.67022(7) 0.0192(3) Uani 1 1 d . . . . .
P2 P 0.91935(3) 0.24167(2) 0.86229(2) 0.01620(9) Uani 1 1 d D . . . .
P6 P 0.57117(3) 0.74196(3) 0.86112(2) 0.01936(10) Uani 1 1 d D . . . .
P8 P 0.61056(3) 0.75325(2) 0.60084(2) 0.01464(9) Uani 1 1 d D . . . .
N2_1 N 1.16373(10) 0.43604(7) 0.68783(7) 0.0230(3) Uani 1 1 d D . . . .
C1_1 C 1.18279(11) 0.39111(9) 0.63280(8) 0.0259(4) Uani 1 1 d D . . . .
H1A_1 H 1.14915(13) 0.40344(9) 0.59588(13) 0.031 Uiso 1 1 calc DR U . . .
H1B_1 H 1.16646(11) 0.34589(14) 0.64002(9) 0.031 Uiso 1 1 calc DR U . . .
C2_1 C 1.27689(11) 0.39339(8) 0.61984(10) 0.0309(4) Uani 1 1 d D . . . .
H2A_1 H 1.28779(11) 0.36506(11) 0.58090(14) 0.037 Uiso 1 1 calc DR U . . .
H2B_1 H 1.31010(14) 0.37619(9) 0.65468(13) 0.037 Uiso 1 1 calc DR U . . .
C3_1 C 1.30583(13) 0.46333(9) 0.61292(9) 0.0318(4) Uani 1 1 d D . . . .
H3A_1 H 1.3682(2) 0.46427(9) 0.60875(9) 0.038 Uiso 1 1 calc DR U . . .
H3B_1 H 1.27879(14) 0.47831(9) 0.57448(13) 0.038 Uiso 1 1 calc DR U . . .
C4_1 C 1.28200(12) 0.50940(10) 0.66962(10) 0.0356(5) Uani 1 1 d D . . . .
H4A_1 H 1.31548(14) 0.49829(10) 0.70707(14) 0.043 Uiso 1 1 calc DR U . . .
H4B_1 H 1.29606(12) 0.55509(15) 0.66247(10) 0.043 Uiso 1 1 calc DR U . . .
C5_1 C 1.18771(11) 0.50409(7) 0.68125(10) 0.0280(4) Uani 1 1 d D . . . .
H5A_1 H 1.17445(12) 0.53211(10) 0.71989(14) 0.034 Uiso 1 1 calc DR U . . .
H5B_1 H 1.15426(14) 0.52001(8) 0.64586(13) 0.034 Uiso 1 1 calc DR U . . .
N2_2 N 0.94331(8) 0.22241(7) 0.57752(7) 0.0188(3) Uani 1 1 d D . . . .
C1_2 C 0.93913(10) 0.17400(8) 0.52220(8) 0.0245(4) Uani 1 1 d D . . . .
H1A_2 H 0.95404(11) 0.19536(10) 0.48469(12) 0.029 Uiso 1 1 calc DR U . . .
H1B_2 H 0.88049(18) 0.15649(9) 0.51536(8) 0.029 Uiso 1 1 calc DR U . . .
C2_2 C 1.00024(10) 0.11809(8) 0.53127(11) 0.0317(4) Uani 1 1 d D . . . .
H2A_2 H 0.99832(10) 0.08662(11) 0.49311(14) 0.038 Uiso 1 1 calc DR U . . .
H2B_2 H 0.98250(11) 0.09458(10) 0.56677(14) 0.038 Uiso 1 1 calc DR U . . .
C3_2 C 1.09085(10) 0.14391(9) 0.54436(9) 0.0279(4) Uani 1 1 d D . . . .
H3A_2 H 1.12848(14) 0.10760(13) 0.55476(9) 0.034 Uiso 1 1 calc DR U . . .
H3B_2 H 1.11185(11) 0.16139(10) 0.50642(13) 0.034 Uiso 1 1 calc DR U . . .
C4_2 C 1.09352(11) 0.19787(9) 0.59865(9) 0.0307(4) Uani 1 1 d D . . . .
H4A_2 H 1.08165(11) 0.17863(10) 0.63794(13) 0.037 Uiso 1 1 calc DR U . . .
H4B_2 H 1.15117(18) 0.21756(10) 0.60335(9) 0.037 Uiso 1 1 calc DR U . . .
C5_2 C 1.02891(9) 0.25103(8) 0.58819(9) 0.0222(3) Uani 1 1 d D . . . .
H5A_2 H 1.02971(9) 0.28389(11) 0.62530(13) 0.027 Uiso 1 1 calc DR U . . .
H5B_2 H 1.04413(10) 0.27359(10) 0.55147(13) 0.027 Uiso 1 1 calc DR U . . .
N2_3 N 0.84242(11) 0.32687(6) 0.55784(6) 0.0197(3) Uani 1 1 d D . . . .
C1_3 C 0.83090(12) 0.31464(9) 0.48970(6) 0.0230(4) Uani 1 1 d D . . . .
H1A_3 H 0.77298(19) 0.32796(9) 0.47675(7) 0.028 Uiso 1 1 calc DR U . . .
H1B_3 H 0.83665(12) 0.26714(15) 0.47695(7) 0.028 Uiso 1 1 calc DR U . . .
C2_3 C 0.89602(13) 0.35245(8) 0.45689(8) 0.0262(4) Uani 1 1 d D . . . .
H2A_3 H 0.88327(13) 0.34677(8) 0.41113(14) 0.031 Uiso 1 1 calc DR U . . .
H2B_3 H 0.95329(19) 0.33447(9) 0.46478(8) 0.031 Uiso 1 1 calc DR U . . .
C3_3 C 0.89565(15) 0.42536(8) 0.47990(7) 0.0289(4) Uani 1 1 d D . . . .
H3A_3 H 0.94285(19) 0.44777(10) 0.46137(9) 0.035 Uiso 1 1 calc DR U . . .
H3B_3 H 0.8416(2) 0.44502(9) 0.46608(8) 0.035 Uiso 1 1 calc DR U . . .
C4_3 C 0.90545(12) 0.43537(8) 0.55110(7) 0.0238(4) Uani 1 1 d D . . . .
H4A_3 H 0.90036(12) 0.48256(14) 0.56549(8) 0.029 Uiso 1 1 calc DR U . . .
H4B_3 H 0.96246(19) 0.42065(9) 0.56468(8) 0.029 Uiso 1 1 calc DR U . . .
C5_3 C 0.83742(11) 0.39666(7) 0.58037(7) 0.0198(3) Uani 1 1 d D . . . .
H5A_3 H 0.84548(11) 0.40230(7) 0.62658(14) 0.024 Uiso 1 1 calc DR U . . .
H5B_3 H 0.78054(18) 0.41354(8) 0.56928(8) 0.024 Uiso 1 1 calc DR U . . .
N2_4 N 1.17063(9) 0.42413(7) 0.81272(7) 0.0198(3) Uani 1 1 d D . . . .
C1_4 C 1.23410(12) 0.37297(8) 0.82058(8) 0.0254(4) Uani 1 1 d D . . . .
H1A_4 H 1.28407(17) 0.38087(8) 0.79572(10) 0.030 Uiso 1 1 calc DR U . . .
H1B_4 H 1.20962(13) 0.32963(14) 0.80480(9) 0.030 Uiso 1 1 calc DR U . . .
C2_4 C 1.26189(13) 0.37273(8) 0.88916(8) 0.0291(4) Uani 1 1 d D . . . .
H2A_4 H 1.30729(17) 0.33993(12) 0.89320(8) 0.035 Uiso 1 1 calc DR U . . .
H2B_4 H 1.21321(18) 0.35997(9) 0.91322(10) 0.035 Uiso 1 1 calc DR U . . .
C3_4 C 1.29467(12) 0.44022(9) 0.91625(9) 0.0295(4) Uani 1 1 d D . . . .
H3A_4 H 1.30728(12) 0.44010(9) 0.96179(14) 0.035 Uiso 1 1 calc DR U . . .
H3B_4 H 1.34795(18) 0.45048(9) 0.89617(10) 0.035 Uiso 1 1 calc DR U . . .
C4_4 C 1.22854(13) 0.49240(9) 0.90512(7) 0.0280(4) Uani 1 1 d D . . . .
H4A_4 H 1.17761(18) 0.48503(9) 0.92916(10) 0.034 Uiso 1 1 calc DR U . . .
H4B_4 H 1.25202(14) 0.53632(14) 0.91997(8) 0.034 Uiso 1 1 calc DR U . . .
C5_4 C 1.20368(13) 0.48967(7) 0.83565(7) 0.0240(4) Uani 1 1 d D . . . .
H5A_4 H 1.15972(17) 0.52297(11) 0.82893(8) 0.029 Uiso 1 1 calc DR U . . .
H5B_4 H 1.25389(18) 0.49977(8) 0.81189(9) 0.029 Uiso 1 1 calc DR U . . .
N2_5 N 1.03964(9) 0.47377(8) 0.75877(6) 0.0201(3) Uani 1 1 d D . . . .
C1_5 C 0.98207(12) 0.47951(9) 0.70398(7) 0.0244(4) Uani 1 1 d D . . . .
H1A_5 H 0.94249(15) 0.44158(13) 0.69856(7) 0.029 Uiso 1 1 calc DR U . . .
H1B_5 H 1.01557(14) 0.47886(9) 0.66585(12) 0.029 Uiso 1 1 calc DR U . . .
C2_5 C 0.93156(13) 0.54272(10) 0.71196(8) 0.0319(4) Uani 1 1 d D . . . .
H2A_5 H 0.89193(17) 0.54484(10) 0.67526(12) 0.038 Uiso 1 1 calc DR U . . .
H2B_5 H 0.97088(17) 0.58070(14) 0.71396(8) 0.038 Uiso 1 1 calc DR U . . .
C3_5 C 0.88126(12) 0.54655(12) 0.77161(8) 0.0337(5) Uani 1 1 d D . . . .
H3A_5 H 0.85344(14) 0.58981(16) 0.77820(8) 0.040 Uiso 1 1 calc DR U . . .
H3B_5 H 0.83650(16) 0.51222(14) 0.76745(8) 0.040 Uiso 1 1 calc DR U . . .
C4_5 C 0.94105(13) 0.53684(9) 0.82746(7) 0.0279(4) Uani 1 1 d D . . . .
H4A_5 H 0.98111(16) 0.57439(13) 0.83482(8) 0.033 Uiso 1 1 calc DR U . . .
H4B_5 H 0.90772(15) 0.53537(9) 0.86546(12) 0.033 Uiso 1 1 calc DR U . . .
C5_5 C 0.99077(11) 0.47351(8) 0.81580(7) 0.0216(3) Uani 1 1 d D . . . .
H5A_5 H 1.03003(15) 0.46858(9) 0.85217(11) 0.026 Uiso 1 1 calc DR U . . .
H5B_5 H 0.95095(15) 0.43573(13) 0.81120(7) 0.026 Uiso 1 1 calc DR U . . .
N2_6 N 0.99587(9) 0.18726(8) 0.84995(6) 0.0236(3) Uani 1 1 d D . . . .
C1_6 C 1.04295(10) 0.16005(12) 0.90152(8) 0.0305(4) Uani 1 1 d D . . . .
H1A_6 H 1.03345(10) 0.11207(17) 0.89881(8) 0.037 Uiso 1 1 calc DR U . . .
H1B_6 H 1.02223(11) 0.17969(13) 0.94210(13) 0.037 Uiso 1 1 calc DR U . . .
C2_6 C 1.13735(10) 0.17447(12) 0.89803(8) 0.0328(4) Uani 1 1 d D . . . .
H2A_6 H 1.16913(13) 0.15485(13) 0.93216(12) 0.039 Uiso 1 1 calc DR U . . .
H2B_6 H 1.14719(11) 0.22246(17) 0.90366(8) 0.039 Uiso 1 1 calc DR U . . .
C3_6 C 1.16956(12) 0.14633(14) 0.83480(8) 0.0407(6) Uani 1 1 d D . . . .
H3A_6 H 1.22976(19) 0.15917(14) 0.83167(8) 0.049 Uiso 1 1 calc DR U . . .
H3B_6 H 1.16634(12) 0.09785(19) 0.83146(8) 0.049 Uiso 1 1 calc DR U . . .
C4_6 C 1.11663(11) 0.17144(13) 0.78139(8) 0.0361(5) Uani 1 1 d D . . . .
H4A_6 H 1.12649(11) 0.21912(18) 0.78107(8) 0.043 Uiso 1 1 calc DR U . . .
H4B_6 H 1.13449(11) 0.14931(14) 0.74094(13) 0.043 Uiso 1 1 calc DR U . . .
C5_6 C 1.02254(10) 0.15855(11) 0.78864(7) 0.0273(4) Uani 1 1 d D . . . .
H5A_6 H 0.98898(13) 0.17780(12) 0.75513(11) 0.033 Uiso 1 1 calc DR U . . .
H5B_6 H 1.01162(11) 0.11069(16) 0.78434(7) 0.033 Uiso 1 1 calc DR U . . .
N2_7 N 0.83818(8) 0.20040(6) 0.88733(7) 0.0183(3) Uani 1 1 d D . . . .
C1_7 C 0.76099(10) 0.23776(8) 0.90316(9) 0.0226(4) Uani 1 1 d D . . . .
H1A_7 H 0.72412(14) 0.23982(8) 0.86497(13) 0.027 Uiso 1 1 calc DR U . . .
H1B_7 H 0.77669(11) 0.28314(14) 0.91987(10) 0.027 Uiso 1 1 calc DR U . . .
C2_7 C 0.71301(13) 0.20495(8) 0.95187(9) 0.0285(4) Uani 1 1 d D . . . .
H2A_7 H 0.65990(18) 0.22916(10) 0.96100(9) 0.034 Uiso 1 1 calc DR U . . .
H2B_7 H 0.74821(15) 0.20626(8) 0.99123(13) 0.034 Uiso 1 1 calc DR U . . .
C3_7 C 0.69169(11) 0.13380(8) 0.92819(10) 0.0301(4) Uani 1 1 d D . . . .
H3A_7 H 0.66666(13) 0.11179(10) 0.96222(13) 0.036 Uiso 1 1 calc DR U . . .
H3B_7 H 0.64898(16) 0.13279(8) 0.89300(14) 0.036 Uiso 1 1 calc DR U . . .
C4_7 C 0.77066(12) 0.09697(8) 0.90632(10) 0.0285(4) Uani 1 1 d D . . . .
H4A_7 H 0.75401(13) 0.05284(14) 0.88657(11) 0.034 Uiso 1 1 calc DR U . . .
H4B_7 H 0.80916(15) 0.09137(8) 0.94296(13) 0.034 Uiso 1 1 calc DR U . . .
C5_7 C 0.81740(12) 0.13352(7) 0.85953(8) 0.0242(4) Uani 1 1 d D . . . .
H5A_7 H 0.87026(18) 0.11002(9) 0.84806(9) 0.029 Uiso 1 1 calc DR U . . .
H5B_7 H 0.78125(15) 0.13534(7) 0.82096(13) 0.029 Uiso 1 1 calc DR U . . .
N2_8 N 0.51467(8) 0.28021(7) 0.75610(6) 0.0154(3) Uani 1 1 d D . . . .
C1_8 C 0.48406(10) 0.25958(9) 0.69148(6) 0.0202(3) Uani 1 1 d D . . . .
H1A_8 H 0.51593(13) 0.22059(13) 0.67462(8) 0.024 Uiso 1 1 calc DR U . . .
H1B_8 H 0.49370(10) 0.29525(13) 0.66465(9) 0.024 Uiso 1 1 calc DR U . . .
C2_8 C 0.38962(10) 0.24323(9) 0.69063(8) 0.0235(4) Uani 1 1 d D . . . .
H2A_8 H 0.36892(11) 0.22980(10) 0.64707(13) 0.028 Uiso 1 1 calc DR U . . .
H2B_8 H 0.35772(13) 0.28260(13) 0.70646(9) 0.028 Uiso 1 1 calc DR U . . .
C3_8 C 0.37394(12) 0.18783(9) 0.73145(8) 0.0265(4) Uani 1 1 d D . . . .
H3A_8 H 0.31206(19) 0.18048(9) 0.73388(8) 0.032 Uiso 1 1 calc DR U . . .
H3B_8 H 0.39935(13) 0.14681(14) 0.71240(9) 0.032 Uiso 1 1 calc DR U . . .
C4_8 C 0.41302(10) 0.20515(10) 0.79705(7) 0.0255(4) Uani 1 1 d D . . . .
H4A_8 H 0.38035(13) 0.24123(13) 0.81872(9) 0.031 Uiso 1 1 calc DR U . . .
H4B_8 H 0.40909(10) 0.16665(14) 0.82121(10) 0.031 Uiso 1 1 calc DR U . . .
C5_8 C 0.50563(10) 0.22603(9) 0.79554(8) 0.0217(3) Uani 1 1 d D . . . .
H5A_8 H 0.52747(11) 0.24016(9) 0.83868(13) 0.026 Uiso 1 1 calc DR U . . .
H5B_8 H 0.53982(13) 0.18825(13) 0.77881(9) 0.026 Uiso 1 1 calc DR U . . .
N2_9 N 0.58555(8) 0.38358(7) 0.71844(7) 0.0184(3) Uani 1 1 d D . . . .
C1_9 C 0.64763(11) 0.40485(8) 0.67550(9) 0.0238(4) Uani 1 1 d D . . . .
H1A_9 H 0.62567(12) 0.39472(8) 0.63174(14) 0.029 Uiso 1 1 calc DR U . . .
H1B_9 H 0.70127(17) 0.38055(10) 0.68063(9) 0.029 Uiso 1 1 calc DR U . . .
C2_9 C 0.66507(11) 0.47810(8) 0.68828(11) 0.0302(4) Uani 1 1 d D . . . .
H2A_9 H 0.70459(14) 0.49181(8) 0.65722(13) 0.036 Uiso 1 1 calc DR U . . .
H2B_9 H 0.69265(13) 0.48754(8) 0.73048(15) 0.036 Uiso 1 1 calc DR U . . .
C3_9 C 0.58300(11) 0.51730(8) 0.68456(10) 0.0302(4) Uani 1 1 d D . . . .
H3A_9 H 0.59520(12) 0.56427(14) 0.69720(11) 0.036 Uiso 1 1 calc DR U . . .
H3B_9 H 0.55961(13) 0.51302(9) 0.64083(15) 0.036 Uiso 1 1 calc DR U . . .
C4_9 C 0.51785(11) 0.49245(7) 0.72740(9) 0.0244(4) Uani 1 1 d D . . . .
H4A_9 H 0.53746(12) 0.50314(8) 0.77165(14) 0.029 Uiso 1 1 calc DR U . . .
H4B_9 H 0.46305(18) 0.51485(9) 0.72098(9) 0.029 Uiso 1 1 calc DR U . . .
C5_9 C 0.50492(9) 0.41869(7) 0.71419(9) 0.0202(3) Uani 1 1 d D . . . .
H5A_9 H 0.46570(13) 0.40344(8) 0.74470(12) 0.024 Uiso 1 1 calc DR U . . .
H5B_9 H 0.47845(11) 0.40860(7) 0.67170(14) 0.024 Uiso 1 1 calc DR U . . .
N2_10 N 0.59832(8) 0.35716(7) 0.84022(6) 0.0176(3) Uani 1 1 d D . . . .
C1_10 C 0.67055(10) 0.39979(10) 0.86288(7) 0.0230(4) Uani 1 1 d D . . . .
H1A_10 H 0.66396(10) 0.44276(14) 0.84596(8) 0.028 Uiso 1 1 calc DR U . . .
H1B_10 H 0.72377(16) 0.37982(11) 0.84719(8) 0.028 Uiso 1 1 calc DR U . . .
C2_10 C 0.67701(10) 0.41021(10) 0.93395(7) 0.0244(4) Uani 1 1 d D . . . .
H2A_10 H 0.72342(15) 0.44184(13) 0.94724(8) 0.029 Uiso 1 1 calc DR U . . .
H2B_10 H 0.69128(10) 0.36816(15) 0.95073(8) 0.029 Uiso 1 1 calc DR U . . .
C3_10 C 0.59396(10) 0.43608(9) 0.96106(8) 0.0245(4) Uani 1 1 d D . . . .
H3A_10 H 0.59790(10) 0.43802(9) 1.00735(14) 0.029 Uiso 1 1 calc DR U . . .
H3B_10 H 0.58337(10) 0.48092(15) 0.94933(8) 0.029 Uiso 1 1 calc DR U . . .
C4_10 C 0.52115(10) 0.39063(10) 0.93547(7) 0.0235(4) Uani 1 1 d D . . . .
H4A_10 H 0.52925(10) 0.34690(15) 0.95056(8) 0.028 Uiso 1 1 calc DR U . . .
H4B_10 H 0.46667(17) 0.40850(11) 0.95093(8) 0.028 Uiso 1 1 calc DR U . . .
C5_10 C 0.51803(9) 0.38406(9) 0.86416(7) 0.0201(3) Uani 1 1 d D . . . .
H5A_10 H 0.47034(15) 0.35475(12) 0.84804(8) 0.024 Uiso 1 1 calc DR U . . .
H5B_10 H 0.50801(9) 0.42760(14) 0.84911(8) 0.024 Uiso 1 1 calc DR U . . .
N2_11 N 0.96792(9) 0.79106(8) 0.75715(6) 0.0220(3) Uani 1 1 d D . . . .
C1_11 C 0.98341(11) 0.73565(10) 0.79453(9) 0.0282(4) Uani 1 1 d D . . . .
H1A_11 H 0.95058(14) 0.69672(14) 0.77547(10) 0.034 Uiso 1 1 calc DR U . . .
H1B_11 H 0.96368(12) 0.74701(10) 0.83765(14) 0.034 Uiso 1 1 calc DR U . . .
C2_11 C 1.07747(12) 0.71931(13) 0.79746(8) 0.0387(5) Uani 1 1 d D . . . .
H2A_11 H 1.08596(12) 0.67972(17) 0.82013(10) 0.046 Uiso 1 1 calc DR U . . .
H2B_11 H 1.10915(14) 0.75625(16) 0.82148(10) 0.046 Uiso 1 1 calc DR U . . .
C3_11 C 1.11339(14) 0.70677(11) 0.73240(9) 0.0385(5) Uani 1 1 d D . . . .
H3A_11 H 1.1761(2) 0.70227(12) 0.73626(9) 0.046 Uiso 1 1 calc DR U . . .
H3B_11 H 1.08947(15) 0.66516(16) 0.71092(11) 0.046 Uiso 1 1 calc DR U . . .
C4_11 C 1.09110(11) 0.76327(11) 0.69378(9) 0.0327(4) Uani 1 1 d D . . . .
H4A_11 H 1.12122(13) 0.80375(15) 0.71222(10) 0.039 Uiso 1 1 calc DR U . . .
H4B_11 H 1.10986(12) 0.75286(11) 0.65026(14) 0.039 Uiso 1 1 calc DR U . . .
C5_11 C 0.99552(10) 0.77464(11) 0.69279(7) 0.0263(4) Uani 1 1 d D . . . .
H5A_11 H 0.98115(11) 0.81108(14) 0.66706(9) 0.032 Uiso 1 1 calc DR U . . .
H5B_11 H 0.96539(13) 0.73447(15) 0.67359(8) 0.032 Uiso 1 1 calc DR U . . .
N2_12 N 0.88253(9) 0.88875(8) 0.71801(7) 0.0243(3) Uani 1 1 d D . . . .
C1_12 C 0.80698(10) 0.91167(11) 0.68457(8) 0.0296(4) Uani 1 1 d D . . . .
H1A_12 H 0.78266(12) 0.94997(14) 0.70974(11) 0.036 Uiso 1 1 calc DR U . . .
H1B_12 H 0.76330(15) 0.87625(14) 0.67930(9) 0.036 Uiso 1 1 calc DR U . . .
C2_12 C 0.82892(13) 0.93113(11) 0.62073(8) 0.0357(5) Uani 1 1 d D . . . .
H2A_12 H 0.77722(19) 0.94769(12) 0.59953(10) 0.043 Uiso 1 1 calc DR U . . .
H2B_12 H 0.84928(14) 0.89209(15) 0.59438(11) 0.043 Uiso 1 1 calc DR U . . .
C3_12 C 0.89784(13) 0.98431(11) 0.62740(11) 0.0391(5) Uani 1 1 d D . . . .
H3A_12 H 0.91476(14) 0.99423(11) 0.58521(15) 0.047 Uiso 1 1 calc DR U . . .
H3B_12 H 0.87540(14) 1.02513(15) 0.64967(12) 0.047 Uiso 1 1 calc DR U . . .
C4_12 C 0.97471(12) 0.96097(13) 0.66400(10) 0.0396(5) Uani 1 1 d D . . . .
H4A_12 H 1.00184(14) 0.92410(16) 0.63862(12) 0.047 Uiso 1 1 calc DR U . . .
H4B_12 H 1.01694(16) 0.99729(16) 0.67181(10) 0.047 Uiso 1 1 calc DR U . . .
C5_12 C 0.95024(13) 0.93850(12) 0.72612(9) 0.0378(6) Uani 1 1 d D . . . .
H5A_12 H 1.00099(18) 0.92007(13) 0.74690(10) 0.045 Uiso 1 1 calc DR U . . .
H5B_12 H 0.93082(14) 0.97686(15) 0.75383(11) 0.045 Uiso 1 1 calc DR U . . .
N2_13 N 0.69863(7) 0.71125(6) 0.58317(7) 0.0155(3) Uani 1 1 d D . . . .
C1_13 C 0.78064(9) 0.74649(7) 0.58793(8) 0.0175(3) Uani 1 1 d D . . . .
H1A_13 H 0.80168(10) 0.75256(7) 0.63240(14) 0.021 Uiso 1 1 calc DR U . . .
H1B_13 H 0.77311(9) 0.79051(13) 0.57295(9) 0.021 Uiso 1 1 calc DR U . . .
C2_13 C 0.84504(10) 0.70764(7) 0.54855(8) 0.0199(3) Uani 1 1 d D . . . .
H2A_13 H 0.90090(17) 0.73061(9) 0.55355(8) 0.024 Uiso 1 1 calc DR U . . .
H2B_13 H 0.82627(11) 0.70529(7) 0.50363(14) 0.024 Uiso 1 1 calc DR U . . .
C3_13 C 0.85504(10) 0.63828(8) 0.56783(10) 0.0250(4) Uani 1 1 d D . . . .
H3A_13 H 0.89176(13) 0.61247(10) 0.53799(12) 0.030 Uiso 1 1 calc DR U . . .
H3B_13 H 0.88319(12) 0.64024(8) 0.61023(15) 0.030 Uiso 1 1 calc DR U . . .
C4_13 C 0.76888(10) 0.60436(7) 0.56844(9) 0.0228(4) Uani 1 1 d D . . . .
H4A_13 H 0.74501(12) 0.59563(8) 0.52484(14) 0.027 Uiso 1 1 calc DR U . . .
H4B_13 H 0.77604(10) 0.56162(13) 0.58609(10) 0.027 Uiso 1 1 calc DR U . . .
C5_13 C 0.70754(10) 0.64688(7) 0.60759(8) 0.0198(3) Uani 1 1 d D . . . .
H5A_13 H 0.65115(17) 0.62482(9) 0.60623(8) 0.024 Uiso 1 1 calc DR U . . .
H5B_13 H 0.72916(12) 0.65289(7) 0.65192(14) 0.024 Uiso 1 1 calc DR U . . .
N2_14 N 0.88741(9) 0.86322(8) 0.84122(6) 0.0219(3) Uani 1 1 d D . . . .
C1_14 C 0.96861(10) 0.89241(11) 0.86633(7) 0.0265(4) Uani 1 1 d D . . . .
H1A_14 H 0.97482(10) 0.93697(16) 0.85254(8) 0.032 Uiso 1 1 calc DR U . . .
H1B_14 H 1.01636(15) 0.86515(13) 0.84978(8) 0.032 Uiso 1 1 calc DR U . . .
C2_14 C 0.97220(11) 0.89681(11) 0.93757(7) 0.0286(4) Uani 1 1 d D . . . .
H2A_14 H 1.02742(18) 0.91638(12) 0.95403(8) 0.034 Uiso 1 1 calc DR U . . .
H2B_14 H 0.96796(11) 0.85211(15) 0.95137(8) 0.034 Uiso 1 1 calc DR U . . .
C3_14 C 0.89934(10) 0.93896(10) 0.96375(8) 0.0268(4) Uani 1 1 d D . . . .
H3A_14 H 0.90007(10) 0.93957(10) 1.01011(14) 0.032 Uiso 1 1 calc DR U . . .
H3B_14 H 0.90627(11) 0.98474(15) 0.95322(8) 0.032 Uiso 1 1 calc DR U . . .
C4_14 C 0.81511(10) 0.91075(11) 0.93559(7) 0.0278(4) Uani 1 1 d D . . . .
H4A_14 H 0.80471(11) 0.86757(15) 0.95133(8) 0.033 Uiso 1 1 calc DR U . . .
H4B_14 H 0.76824(16) 0.94054(13) 0.94928(8) 0.033 Uiso 1 1 calc DR U . . .
C5_14 C 0.81496(10) 0.90221(10) 0.86446(7) 0.0252(4) Uani 1 1 d D . . . .
H5A_14 H 0.76122(17) 0.88024(11) 0.84791(8) 0.030 Uiso 1 1 calc DR U . . .
H5B_14 H 0.81702(10) 0.94607(15) 0.84858(8) 0.030 Uiso 1 1 calc DR U . . .
N2_15 N 0.65372(8) 0.70021(6) 0.88681(7) 0.0193(3) Uani 1 1 d D . . . .
C1_15 C 0.67484(12) 0.63592(7) 0.85466(8) 0.0241(4) Uani 1 1 d D . . . .
H1A_15 H 0.70818(14) 0.64201(8) 0.81730(12) 0.029 Uiso 1 1 calc DR U . . .
H1B_15 H 0.62176(18) 0.61170(10) 0.84028(9) 0.029 Uiso 1 1 calc DR U . . .
C2_15 C 0.72635(12) 0.59665(8) 0.89912(10) 0.0294(4) Uani 1 1 d D . . . .
H2A_15 H 0.74360(13) 0.55446(13) 0.87637(11) 0.035 Uiso 1 1 calc DR U . . .
H2B_15 H 0.69052(15) 0.58652(8) 0.93404(13) 0.035 Uiso 1 1 calc DR U . . .
C3_15 C 0.80542(11) 0.63442(8) 0.92578(10) 0.0282(4) Uani 1 1 d D . . . .
H3A_15 H 0.83349(13) 0.61032(10) 0.95878(13) 0.034 Uiso 1 1 calc DR U . . .
H3B_15 H 0.84615(15) 0.63736(8) 0.89196(13) 0.034 Uiso 1 1 calc DR U . . .
C4_15 C 0.78313(12) 0.70329(8) 0.95362(8) 0.0264(4) Uani 1 1 d D . . . .
H4A_15 H 0.75007(15) 0.70060(8) 0.99178(13) 0.032 Uiso 1 1 calc DR U . . .
H4B_15 H 0.83616(18) 0.72847(10) 0.96602(9) 0.032 Uiso 1 1 calc DR U . . .
C5_15 C 0.73111(10) 0.73859(7) 0.90613(8) 0.0206(3) Uani 1 1 d D . . . .
H5A_15 H 0.71547(10) 0.78293(13) 0.92511(9) 0.025 Uiso 1 1 calc DR U . . .
H5B_15 H 0.76528(13) 0.74382(7) 0.86899(12) 0.025 Uiso 1 1 calc DR U . . .
N2_16 N 0.45473(17) 0.97678(18) 0.75800(13) 0.0292(4) Uani 0.507(4) 1 d D . P A
1
C1_16 C 0.5058(2) 0.97046(16) 0.81615(12) 0.0193(7) Uani 0.507(4) 1 d D . P A 1
H1A_16 H 0.5423(2) 0.93099(19) 0.81088(12) 0.023 Uiso 0.507(4) 1 calc DR U P A
1
H1B_16 H 0.4678(2) 0.96574(16) 0.85135(15) 0.023 Uiso 0.507(4) 1 calc DR U P A
1
C2_16 C 0.5607(2) 1.03187(16) 0.83020(11) 0.0226(8) Uani 0.507(4) 1 d D . P A 1
H2A_16 H 0.5959(2) 1.02851(16) 0.86920(15) 0.027 Uiso 0.507(4) 1 calc DR U P A
1
H2B_16 H 0.5236(2) 1.07086(19) 0.83709(11) 0.027 Uiso 0.507(4) 1 calc DR U P A
1
C3_16 C 0.61856(19) 1.0405(2) 0.77613(13) 0.0261(9) Uani 0.507(4) 1 d D . P A 1
H3A_16 H 0.6488(2) 1.0833(2) 0.78394(13) 0.031 Uiso 0.507(4) 1 calc DR U P A 1
H3B_16 H 0.6618(2) 1.0052(2) 0.77361(13) 0.031 Uiso 0.507(4) 1 calc DR U P A 1
C4_16 C 0.5671(2) 1.03788(16) 0.71432(12) 0.0231(8) Uani 0.507(4) 1 d D . P A 1
H4A_16 H 0.6063(2) 1.03803(16) 0.67917(15) 0.028 Uiso 0.507(4) 1 calc DR U P A
1
H4B_16 H 0.5307(2) 1.07738(18) 0.71417(12) 0.028 Uiso 0.507(4) 1 calc DR U P A
1
C5_16 C 0.5115(2) 0.97643(16) 0.70485(11) 0.0202(7) Uani 0.507(4) 1 d D . P A 1
H5A_16 H 0.4773(2) 0.97580(16) 0.66488(15) 0.024 Uiso 0.507(4) 1 calc DR U P A
1
H5B_16 H 0.5476(2) 0.93667(19) 0.70279(11) 0.024 Uiso 0.507(4) 1 calc DR U P A
1
N2_17 N 0.45370(18) 0.98193(18) 0.75909(13) 0.0292(4) Uani 0.493(4) 1 d D . P A
2
C1_17 C 0.49971(16) 1.01236(19) 0.71069(12) 0.0219(7) Uani 0.493(4) 1 d D . P A
2
H1A_17 H 0.49542(16) 1.0609(2) 0.71809(12) 0.026 Uiso 0.493(4) 1 calc DR U P A
2
H1B_17 H 0.47323(18) 0.9983(2) 0.66870(16) 0.026 Uiso 0.493(4) 1 calc DR U P A
2
C2_17 C 0.59273(16) 0.99265(19) 0.71218(11) 0.0223(8) Uani 0.493(4) 1 d D . P A
2
H2A_17 H 0.62284(18) 1.0140(2) 0.67974(14) 0.027 Uiso 0.493(4) 1 calc DR U P A
2
H2B_17 H 0.59711(16) 0.9444(2) 0.70237(12) 0.027 Uiso 0.493(4) 1 calc DR U P A
2
C3_17 C 0.63486(16) 1.0129(2) 0.77661(13) 0.0234(9) Uani 0.493(4) 1 d D . P A 2
H3A_17 H 0.6940(2) 0.9962(2) 0.77811(13) 0.028 Uiso 0.493(4) 1 calc DR U P A 2
H3B_17 H 0.63705(17) 1.0615(2) 0.78440(13) 0.028 Uiso 0.493(4) 1 calc DR U P A
2
C4_17 C 0.58400(17) 0.98479(19) 0.82679(12) 0.0223(8) Uani 0.493(4) 1 d D . P A
2
H4A_17 H 0.58803(17) 0.9362(2) 0.82196(12) 0.027 Uiso 0.493(4) 1 calc DR U P A
2
H4B_17 H 0.60840(18) 1.00098(19) 0.86892(16) 0.027 Uiso 0.493(4) 1 calc DR U P
A 2
C5_17 C 0.49113(16) 1.0047(2) 0.82169(11) 0.0225(8) Uani 0.493(4) 1 d D . P A 2
H5A_17 H 0.45899(18) 0.9853(2) 0.85435(14) 0.027 Uiso 0.493(4) 1 calc DR U P A
2
H5B_17 H 0.48676(16) 1.0532(2) 0.82899(12) 0.027 Uiso 0.493(4) 1 calc DR U P A
2
N2_18 N 0.32450(9) 0.92914(7) 0.80714(7) 0.0204(3) Uani 1 1 d D . . . .
C1_18 C 0.29090(13) 0.99360(7) 0.82993(7) 0.0233(4) Uani 1 1 d D . . . .
H1A_18 H 0.23884(18) 1.00283(8) 0.80469(10) 0.028 Uiso 1 1 calc DR U . . .
H1B_18 H 0.33371(17) 1.02817(11) 0.82481(8) 0.028 Uiso 1 1 calc DR U . . .
C2_18 C 0.26986(13) 0.99526(9) 0.89864(7) 0.0285(4) Uani 1 1 d D . . . .
H2A_18 H 0.24571(15) 1.03867(14) 0.91299(8) 0.034 Uiso 1 1 calc DR U . . .
H2B_18 H 0.32269(19) 0.98923(9) 0.92423(10) 0.034 Uiso 1 1 calc DR U . . .
C3_18 C 0.20601(13) 0.94126(9) 0.90816(9) 0.0306(4) Uani 1 1 d D . . . .
H3A_18 H 0.19672(13) 0.94050(9) 0.95361(15) 0.037 Uiso 1 1 calc DR U . . .
H3B_18 H 0.15068(19) 0.95025(9) 0.88690(10) 0.037 Uiso 1 1 calc DR U . . .
C4_18 C 0.23940(15) 0.87506(8) 0.88130(9) 0.0332(4) Uani 1 1 d D . . . .
H4A_18 H 0.29043(19) 0.86345(9) 0.90650(11) 0.040 Uiso 1 1 calc DR U . . .
H4B_18 H 0.19533(18) 0.84078(12) 0.88400(9) 0.040 Uiso 1 1 calc DR U . . .
C5_18 C 0.26245(13) 0.87669(8) 0.81334(8) 0.0298(4) Uani 1 1 d D . . . .
H5A_18 H 0.28673(15) 0.83376(14) 0.79759(9) 0.036 Uiso 1 1 calc DR U . . .
H5B_18 H 0.21031(19) 0.88398(9) 0.78741(11) 0.036 Uiso 1 1 calc DR U . . .
N2_19 N 0.32664(10) 0.94384(7) 0.68269(7) 0.0233(3) Uani 1 1 d D . . . .
C1_19 C 0.30177(11) 1.01179(7) 0.67705(9) 0.0244(4) Uani 1 1 d D . . . .
H1A_19 H 0.33747(14) 1.03055(9) 0.64601(12) 0.029 Uiso 1 1 calc DR U . . .
H1B_19 H 0.31164(11) 1.03820(10) 0.71812(13) 0.029 Uiso 1 1 calc DR U . . .
C2_19 C 0.20873(11) 1.01566(10) 0.65639(9) 0.0351(5) Uani 1 1 d D . . . .
H2A_19 H 0.19430(12) 1.06172(15) 0.64989(9) 0.042 Uiso 1 1 calc DR U . . .
H2B_19 H 0.17267(15) 1.00178(11) 0.68972(12) 0.042 Uiso 1 1 calc DR U . . .
C3_19 C 0.19043(13) 0.97161(10) 0.59562(9) 0.0351(5) Uani 1 1 d D . . . .
H3A_19 H 0.1284(2) 0.97142(10) 0.58492(9) 0.042 Uiso 1 1 calc DR U . . .
H3B_19 H 0.22042(15) 0.98913(10) 0.56091(12) 0.042 Uiso 1 1 calc DR U . . .
C4_19 C 0.21982(12) 0.90182(9) 0.60264(11) 0.0366(5) Uani 1 1 d D . . . .
H4A_19 H 0.18482(15) 0.88239(10) 0.63369(13) 0.044 Uiso 1 1 calc DR U . . .
H4B_19 H 0.21172(12) 0.87464(11) 0.56181(15) 0.044 Uiso 1 1 calc DR U . . .
C5_19 C 0.31300(12) 0.90124(9) 0.62412(8) 0.0289(4) Uani 1 1 d D . . . .
H5A_19 H 0.33025(12) 0.85574(14) 0.63065(9) 0.035 Uiso 1 1 calc DR U . . .
H5B_19 H 0.34861(15) 0.91675(10) 0.59129(12) 0.035 Uiso 1 1 calc DR U . . .
N2_20 N 0.55057(10) 0.79045(7) 0.92545(6) 0.0230(3) Uani 1 1 d D . . . .
C1_20 C 0.49185(12) 0.84549(8) 0.92172(8) 0.0250(4) Uani 1 1 d D . . . .
H1A_20 H 0.43583(18) 0.83361(8) 0.93727(9) 0.030 Uiso 1 1 calc DR U . . .
H1B_20 H 0.48334(12) 0.85462(8) 0.87731(14) 0.030 Uiso 1 1 calc DR U . . .
C2_20 C 0.52643(16) 0.90660(8) 0.96054(8) 0.0339(5) Uani 1 1 d D . . . .
H2A_20 H 0.48395(19) 0.94230(12) 0.95975(8) 0.041 Uiso 1 1 calc DR U . . .
H2B_20 H 0.5790(2) 0.92146(9) 0.94193(9) 0.041 Uiso 1 1 calc DR U . . .
C3_20 C 0.54618(14) 0.89311(10) 1.02821(8) 0.0338(5) Uani 1 1 d D . . . .
H3A_20 H 0.57425(16) 0.93216(14) 1.05155(10) 0.041 Uiso 1 1 calc DR U . . .
H3B_20 H 0.49245(19) 0.88460(10) 1.04887(9) 0.041 Uiso 1 1 calc DR U . . .
C4_20 C 0.60431(14) 0.83393(10) 1.02998(9) 0.0411(5) Uani 1 1 d D . . . .
H4A_20 H 0.6606(2) 0.84449(10) 1.01400(10) 0.049 Uiso 1 1 calc DR U . . .
H4B_20 H 0.61307(14) 0.82338(10) 1.07395(14) 0.049 Uiso 1 1 calc DR U . . .
C5_20 C 0.56569(14) 0.77482(9) 0.99011(7) 0.0340(5) Uani 1 1 d D . . . .
H5A_20 H 0.60492(17) 0.73698(13) 0.99076(7) 0.041 Uiso 1 1 calc DR U . . .
H5B_20 H 0.5112(2) 0.76239(10) 1.00766(8) 0.041 Uiso 1 1 calc DR U . . .
N2_21 N 0.53535(8) 0.69894(7) 0.57213(6) 0.0198(3) Uani 1 1 d D . . . .
C1_21 C 0.44778(9) 0.70423(8) 0.59320(8) 0.0217(3) Uani 1 1 d D . . . .
H1A_21 H 0.41370(13) 0.73082(10) 0.56522(11) 0.026 Uiso 1 1 calc DR U . . .
H1B_21 H 0.44787(9) 0.72686(10) 0.63637(14) 0.026 Uiso 1 1 calc DR U . . .
C2_21 C 0.40762(12) 0.63661(9) 0.59246(8) 0.0277(4) Uani 1 1 d D . . . .
H2A_21 H 0.34751(19) 0.64124(9) 0.60452(9) 0.033 Uiso 1 1 calc DR U . . .
H2B_21 H 0.43824(14) 0.61172(11) 0.62372(11) 0.033 Uiso 1 1 calc DR U . . .
C3_21 C 0.41089(11) 0.59863(10) 0.52765(8) 0.0285(4) Uani 1 1 d D . . . .
H3A_21 H 0.38951(12) 0.55322(15) 0.52939(8) 0.034 Uiso 1 1 calc DR U . . .
H3B_21 H 0.37370(14) 0.62009(11) 0.49738(11) 0.034 Uiso 1 1 calc DR U . . .
C4_21 C 0.50180(11) 0.59655(8) 0.50567(9) 0.0254(4) Uani 1 1 d D . . . .
H4A_21 H 0.53732(14) 0.56993(10) 0.53274(11) 0.030 Uiso 1 1 calc DR U . . .
H4B_21 H 0.50247(11) 0.57535(9) 0.46199(14) 0.030 Uiso 1 1 calc DR U . . .
C5_21 C 0.53886(11) 0.66555(8) 0.50842(7) 0.0207(3) Uani 1 1 d D . . . .
H5A_21 H 0.59882(19) 0.66319(8) 0.49564(8) 0.025 Uiso 1 1 calc DR U . . .
H5B_21 H 0.50625(14) 0.69105(10) 0.47865(10) 0.025 Uiso 1 1 calc DR U . . .
N2_22 N 0.78124(8) 0.21456(6) 0.58739(7) 0.0164(3) Uani 1 1 d D . . . .
C1_22 C 0.78360(10) 0.15441(7) 0.61957(8) 0.0211(3) Uani 1 1 d D . . . .
H1A_22 H 0.76347(11) 0.16409(8) 0.66260(14) 0.025 Uiso 1 1 calc DR U . . .
H1B_22 H 0.84281(18) 0.13858(8) 0.62263(8) 0.025 Uiso 1 1 calc DR U . . .
C2_22 C 0.72769(10) 0.10146(7) 0.58396(10) 0.0257(4) Uani 1 1 d D . . . .
H2A_22 H 0.72786(10) 0.06203(12) 0.60709(12) 0.031 Uiso 1 1 calc DR U . . .
H2B_22 H 0.75085(11) 0.08905(8) 0.54224(14) 0.031 Uiso 1 1 calc DR U . . .
C3_22 C 0.63668(10) 0.12576(8) 0.57596(11) 0.0281(4) Uani 1 1 d D . . . .
H3A_22 H 0.60299(13) 0.09287(11) 0.54837(13) 0.034 Uiso 1 1 calc DR U . . .
H3B_22 H 0.61027(12) 0.13118(8) 0.61724(15) 0.034 Uiso 1 1 calc DR U . . .
C4_22 C 0.63559(10) 0.19096(8) 0.54756(9) 0.0236(4) Uani 1 1 d D . . . .
H4A_22 H 0.65368(11) 0.18402(8) 0.50375(14) 0.028 Uiso 1 1 calc DR U . . .
H4B_22 H 0.57693(18) 0.20820(9) 0.54695(9) 0.028 Uiso 1 1 calc DR U . . .
C5_22 C 0.69443(9) 0.24096(7) 0.58478(8) 0.0178(3) Uani 1 1 d D . . . .
H5A_22 H 0.69430(9) 0.28229(12) 0.56455(10) 0.021 Uiso 1 1 calc DR U . . .
H5B_22 H 0.67414(10) 0.25062(7) 0.62777(13) 0.021 Uiso 1 1 calc DR U . . .
N2_23 N 0.61640(9) 0.81651(6) 0.55686(6) 0.0173(3) Uani 1 1 d D . . . .
C1_23 C 0.63769(11) 0.80699(7) 0.49050(6) 0.0176(3) Uani 1 1 d D . . . .
H1A_23 H 0.58613(17) 0.79299(8) 0.46434(9) 0.021 Uiso 1 1 calc DR U . . .
H1B_23 H 0.68102(16) 0.77203(11) 0.48434(7) 0.021 Uiso 1 1 calc DR U . . .
C2_23 C 0.67213(11) 0.87078(7) 0.47036(8) 0.0213(3) Uani 1 1 d D . . . .
H2A_23 H 0.68532(11) 0.86440(7) 0.42528(14) 0.026 Uiso 1 1 calc DR U . . .
H2B_23 H 0.72565(17) 0.88317(8) 0.49480(10) 0.026 Uiso 1 1 calc DR U . . .
C3_23 C 0.60745(12) 0.92586(8) 0.48087(8) 0.0245(4) Uani 1 1 d D . . . .
H3A_23 H 0.63295(14) 0.96786(13) 0.47109(8) 0.029 Uiso 1 1 calc DR U . . .
H3B_23 H 0.55684(18) 0.91625(8) 0.45227(11) 0.029 Uiso 1 1 calc DR U . . .
C4_23 C 0.58044(13) 0.93248(7) 0.54860(8) 0.0240(4) Uani 1 1 d D . . . .
H4A_23 H 0.62913(18) 0.94908(8) 0.57666(10) 0.029 Uiso 1 1 calc DR U . . .
H4B_23 H 0.53367(17) 0.96479(11) 0.55352(8) 0.029 Uiso 1 1 calc DR U . . .
C5_23 C 0.55066(10) 0.86685(7) 0.56756(8) 0.0185(3) Uani 1 1 d D . . . .
H5A_23 H 0.53717(11) 0.87181(7) 0.61262(14) 0.022 Uiso 1 1 calc DR U . . .
H5B_23 H 0.49797(17) 0.85272(8) 0.54283(10) 0.022 Uiso 1 1 calc DR U . . .
N2_24 N 0.94559(10) 0.29055(7) 0.92643(6) 0.0203(3) Uani 1 1 d D . . . .
C1_24 C 0.93272(14) 0.27726(8) 0.99119(7) 0.0282(4) Uani 1 1 d D . . . .
H1A_24 H 0.98774(19) 0.26619(9) 1.01132(8) 0.034 Uiso 1 1 calc DR U . . .
H1B_24 H 0.89389(17) 0.23925(13) 0.99148(7) 0.034 Uiso 1 1 calc DR U . . .
C2_24 C 0.89511(13) 0.33698(9) 1.02788(8) 0.0327(4) Uani 1 1 d D . . . .
H2A_24 H 0.88893(13) 0.32813(9) 1.07198(14) 0.039 Uiso 1 1 calc DR U . . .
H2B_24 H 0.83798(19) 0.34581(9) 1.00982(10) 0.039 Uiso 1 1 calc DR U . . .
C3_24 C 0.95233(14) 0.39692(9) 1.02564(8) 0.0318(4) Uani 1 1 d D . . . .
H3A_24 H 0.92468(16) 0.43615(13) 1.04638(9) 0.038 Uiso 1 1 calc DR U . . .
H3B_24 H 1.00688(19) 0.39039(9) 1.04864(10) 0.038 Uiso 1 1 calc DR U . . .
C4_24 C 0.96918(15) 0.40781(8) 0.95808(8) 0.0315(4) Uani 1 1 d D . . . .
H4A_24 H 0.9157(2) 0.42069(9) 0.93687(10) 0.038 Uiso 1 1 calc DR U . . .
H4B_24 H 1.01076(18) 0.44404(12) 0.95754(8) 0.038 Uiso 1 1 calc DR U . . .
C5_24 C 1.00357(11) 0.34603(8) 0.92270(8) 0.0237(4) Uani 1 1 d D . . . .
H5A_24 H 1.01020(12) 0.35336(8) 0.87825(14) 0.028 Uiso 1 1 calc DR U . . .
H5B_24 H 1.06017(18) 0.33588(8) 0.94089(9) 0.028 Uiso 1 1 calc DR U . . .
N2_25 N 0.49384(10) 0.68705(10) 0.84772(7) 0.0316(4) Uani 1 1 d D . . . .
C1_25 C 0.45615(11) 0.66386(11) 0.78611(7) 0.0295(4) Uani 1 1 d D . . . .
H1A_25 H 0.46252(11) 0.61553(16) 0.77853(7) 0.035 Uiso 1 1 calc DR U . . .
H1B_25 H 0.48631(13) 0.68425(12) 0.75309(11) 0.035 Uiso 1 1 calc DR U . . .
C2_25 C 0.36260(11) 0.68141(14) 0.78264(10) 0.0433(6) Uani 1 1 d D . . . .
H2A_25 H 0.33696(13) 0.66325(15) 0.74148(14) 0.052 Uiso 1 1 calc DR U . . .
H2B_25 H 0.35667(11) 0.72988(19) 0.78598(10) 0.052 Uiso 1 1 calc DR U . . .
C3_25 C 0.31534(13) 0.65415(15) 0.83522(9) 0.0493(7) Uani 1 1 d D . . . .
H3A_25 H 0.2558(2) 0.67010(16) 0.83474(9) 0.059 Uiso 1 1 calc DR U . . .
H3B_25 H 0.31383(13) 0.6055(2) 0.82830(10) 0.059 Uiso 1 1 calc DR U . . .
C4_25 C 0.35878(11) 0.67551(13) 0.89860(9) 0.0388(5) Uani 1 1 d D . . . .
H4A_25 H 0.35301(11) 0.72369(17) 0.90826(9) 0.047 Uiso 1 1 calc DR U . . .
H4B_25 H 0.33077(13) 0.65374(14) 0.93175(12) 0.047 Uiso 1 1 calc DR U . . .
C5_25 C 0.45245(11) 0.65758(14) 0.89828(9) 0.0408(6) Uani 1 1 d D . . . .
H5A_25 H 0.48059(13) 0.67357(15) 0.93924(14) 0.049 Uiso 1 1 calc DR U . . .
H5B_25 H 0.45830(11) 0.60912(19) 0.89220(9) 0.049 Uiso 1 1 calc DR U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
1.00 1.00 1.00 0.1560
0.00 -2.00 -1.00 0.1560
0.00 2.00 1.00 0.1590
1.00 1.00 -1.00 0.0930
1.00 -2.00 -2.00 0.1670
-2.00 1.00 2.00 0.1610
2.00 -1.00 -2.00 0.1600
-2.00 -1.00 1.00 0.1450
2.00 1.00 -1.00 0.1280
-2.00 0.00 1.00 0.1580
-1.00 1.00 1.00 0.1700
1.00 -1.00 0.00 0.1970
-1.00 1.00 0.00 0.1940
2.00 -1.00 1.00 0.1950
1.00 0.00 1.00 0.1640
1.00 2.00 2.00 0.1550
1.00 -2.00 0.00 0.1750
-2.00 2.00 -1.00 0.1860
1.00 0.00 2.00 0.1490
-1.00 0.00 -2.00 0.1780
1.00 -2.00 1.00 0.1680
0.00 1.00 -2.00 0.1590
0.00 0.00 1.00 0.1330
0.00 1.00 2.00 0.1310
0.00 -2.00 1.00 0.1550
0.00 -1.00 -2.00 0.1430
0.00 -1.00 0.00 0.1550
0.00 -1.00 1.00 0.1390
-1.00 -2.00 2.00 0.1320
1.00 2.00 -2.00 0.1120
1.00 1.00 -2.00 0.0940
-1.00 -1.00 2.00 0.1390
-2.00 -1.00 -1.00 0.1790
-2.00 1.00 0.00 0.1740
-1.00 -1.00 0.00 0.1440
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N1 Fe1 Fe2 169.60(6) . . ?
N1 Fe1 N5 133.57(7) . . ?
N1 Fe1 N13 131.47(7) . . ?
N5 Fe1 Fe2 47.11(5) . . ?
N5 Fe1 N13 94.78(6) . . ?
N13 Fe1 Fe2 48.47(4) . . ?
N5 Fe2 Fe1 47.55(4) . . ?
N5 Fe2 N13 94.71(7) . . ?
N9 Fe2 Fe1 169.10(6) . . ?
N9 Fe2 N5 135.02(7) . . ?
N9 Fe2 N13 130.07(7) . . ?
N13 Fe2 Fe1 47.95(5) . . ?
N1 P1 N2_1 112.15(8) . . ?
N1 P1 N2_4 112.03(8) . . ?
N1 P1 N2_5 121.98(9) . . ?
N2_1 P1 N2_4 108.22(9) . . ?
N2_1 P1 N2_5 101.05(8) . . ?
N2_4 P1 N2_5 99.95(7) . . ?
N9 P3 N2_8 117.83(9) . . ?
N9 P3 N2_9 114.09(8) . . ?
N9 P3 N2_10 113.99(8) . . ?
N2_8 P3 N2_10 99.90(7) . . ?
N2_9 P3 N2_8 101.71(7) . . ?
N2_9 P3 N2_10 107.65(8) . . ?
N13 P4 N2_2 113.28(8) . . ?
N13 P4 N2_3 110.03(8) . . ?
N13 P4 N2_22 117.83(8) . . ?
N2_2 P4 N2_22 100.63(7) . . ?
N2_3 P4 N2_2 109.78(8) . . ?
N2_3 P4 N2_22 104.57(7) . . ?
P1 N1 Fe1 126.45(11) . . ?
Fe2 N5 Fe1 85.34(6) . . ?
P2 N5 Fe1 135.33(10) . . ?
P2 N5 Fe2 133.92(10) . . ?
P3 N9 Fe2 151.87(12) . . ?
Fe1 N13 Fe2 83.58(6) . . ?
P4 N13 Fe1 137.95(10) . . ?
P4 N13 Fe2 128.44(10) . . ?
N17 Fe3 Fe4 161.95(6) . . ?
N17 Fe3 N21 132.99(7) . . ?
N17 Fe3 N29 132.08(7) . . ?
N21 Fe3 Fe4 48.14(5) . . ?
N21 Fe3 N29 94.26(7) . . ?
N29 Fe3 Fe4 48.28(5) . . ?
N21 Fe4 Fe3 48.26(5) . . ?
N21 Fe4 N29 94.73(7) . . ?
N25 Fe4 Fe3 166.27(8) . . ?
N25 Fe4 N21 132.22(8) . . ?
N25 Fe4 N29 132.99(8) . . ?
N29 Fe4 Fe3 48.64(5) . . ?
N17 P5 N2_11 117.76(10) . . ?
N17 P5 N2_12 113.98(9) . . ?
N17 P5 N2_14 113.96(9) . . ?
N2_11 P5 N2_12 101.10(8) . . ?
N2_11 P5 N2_14 99.94(7) . . ?
N2_12 P5 N2_14 108.46(9) . . ?
N25 P7 N2_16 120.92(17) . . ?
N25 P7 N2_17 123.74(17) . . ?
N25 P7 N2_18 111.79(10) . . ?
N25 P7 N2_19 111.04(9) . . ?
N2_16 P7 N2_18 101.18(12) . . ?
N2_16 P7 N2_19 102.33(13) . . ?
N2_18 P7 N2_17 99.57(12) . . ?
N2_19 P7 N2_17 100.77(13) . . ?
N2_19 P7 N2_18 108.49(9) . . ?
P5 N17 Fe3 151.84(13) . . ?
Fe4 N21 Fe3 83.60(6) . . ?
P6 N21 Fe3 131.66(10) . . ?
P6 N21 Fe4 136.11(11) . . ?
P7 N25 Fe4 131.41(15) . . ?
Fe4 N29 Fe3 83.09(6) . . ?
P8 N29 Fe3 130.37(10) . . ?
P8 N29 Fe4 145.73(11) . . ?
N5 P2 N2_6 111.65(8) . . ?
N5 P2 N2_7 117.23(8) . . ?
N5 P2 N2_24 112.46(9) . . ?
N2_6 P2 N2_7 105.60(8) . . ?
N2_6 P2 N2_24 108.42(8) . . ?
N2_24 P2 N2_7 100.60(7) . . ?
N21 P6 N2_15 117.01(9) . . ?
N21 P6 N2_20 112.53(9) . . ?
N21 P6 N2_25 112.38(9) . . ?
N2_20 P6 N2_15 100.73(8) . . ?
N2_25 P6 N2_15 104.72(9) . . ?
N2_25 P6 N2_20 108.49(9) . . ?
N29 P8 N2_13 118.34(8) . . ?
N29 P8 N2_21 112.19(8) . . ?
N29 P8 N2_23 110.69(8) . . ?
N2_13 P8 N2_21 100.87(7) . . ?
N2_13 P8 N2_23 102.62(7) . . ?
N2_21 P8 N2_23 111.45(8) . . ?
C1_1 N2_1 P1 121.60(11) . . ?
C1_1 N2_1 C5_1 112.84(12) . . ?
C5_1 N2_1 P1 125.15(11) . . ?
N2_1 C1_1 H1A_1 109.5 . . ?
N2_1 C1_1 H1B_1 109.5 . . ?
N2_1 C1_1 C2_1 110.68(13) . . ?
H1A_1 C1_1 H1B_1 108.1 . . ?
C2_1 C1_1 H1A_1 109.5 . . ?
C2_1 C1_1 H1B_1 109.5 . . ?
C1_1 C2_1 H2A_1 109.4 . . ?
C1_1 C2_1 H2B_1 109.4 . . ?
C1_1 C2_1 C3_1 111.03(13) . . ?
H2A_1 C2_1 H2B_1 108.0 . . ?
C3_1 C2_1 H2A_1 109.4 . . ?
C3_1 C2_1 H2B_1 109.4 . . ?
C2_1 C3_1 H3A_1 109.5 . . ?
C2_1 C3_1 H3B_1 109.5 . . ?
H3A_1 C3_1 H3B_1 108.1 . . ?
C4_1 C3_1 C2_1 110.57(13) . . ?
C4_1 C3_1 H3A_1 109.5 . . ?
C4_1 C3_1 H3B_1 109.5 . . ?
C3_1 C4_1 H4A_1 109.5 . . ?
C3_1 C4_1 H4B_1 109.5 . . ?
H4A_1 C4_1 H4B_1 108.0 . . ?
C5_1 C4_1 C3_1 110.91(13) . . ?
C5_1 C4_1 H4A_1 109.5 . . ?
C5_1 C4_1 H4B_1 109.5 . . ?
N2_1 C5_1 C4_1 110.78(13) . . ?
N2_1 C5_1 H5A_1 109.5 . . ?
N2_1 C5_1 H5B_1 109.5 . . ?
C4_1 C5_1 H5A_1 109.5 . . ?
C4_1 C5_1 H5B_1 109.5 . . ?
H5A_1 C5_1 H5B_1 108.1 . . ?
C1_2 N2_2 P4 124.97(10) . . ?
C1_2 N2_2 C5_2 111.28(12) . . ?
C5_2 N2_2 P4 117.40(10) . . ?
N2_2 C1_2 H1A_2 109.6 . . ?
N2_2 C1_2 H1B_2 109.6 . . ?
N2_2 C1_2 C2_2 110.26(13) . . ?
H1A_2 C1_2 H1B_2 108.1 . . ?
C2_2 C1_2 H1A_2 109.6 . . ?
C2_2 C1_2 H1B_2 109.6 . . ?
C1_2 C2_2 H2A_2 109.5 . . ?
C1_2 C2_2 H2B_2 109.5 . . ?
C1_2 C2_2 C3_2 110.81(13) . . ?
H2A_2 C2_2 H2B_2 108.1 . . ?
C3_2 C2_2 H2A_2 109.5 . . ?
C3_2 C2_2 H2B_2 109.5 . . ?
C2_2 C3_2 H3A_2 109.6 . . ?
C2_2 C3_2 H3B_2 109.6 . . ?
H3A_2 C3_2 H3B_2 108.1 . . ?
C4_2 C3_2 C2_2 110.37(13) . . ?
C4_2 C3_2 H3A_2 109.6 . . ?
C4_2 C3_2 H3B_2 109.6 . . ?
C3_2 C4_2 H4A_2 109.3 . . ?
C3_2 C4_2 H4B_2 109.3 . . ?
H4A_2 C4_2 H4B_2 108.0 . . ?
C5_2 C4_2 C3_2 111.50(13) . . ?
C5_2 C4_2 H4A_2 109.3 . . ?
C5_2 C4_2 H4B_2 109.3 . . ?
N2_2 C5_2 C4_2 110.35(13) . . ?
N2_2 C5_2 H5A_2 109.6 . . ?
N2_2 C5_2 H5B_2 109.6 . . ?
C4_2 C5_2 H5A_2 109.6 . . ?
C4_2 C5_2 H5B_2 109.6 . . ?
H5A_2 C5_2 H5B_2 108.1 . . ?
C1_3 N2_3 P4 123.13(11) . . ?
C1_3 N2_3 C5_3 112.77(12) . . ?
C5_3 N2_3 P4 124.08(10) . . ?
N2_3 C1_3 H1A_3 109.4 . . ?
N2_3 C1_3 H1B_3 109.4 . . ?
N2_3 C1_3 C2_3 111.10(12) . . ?
H1A_3 C1_3 H1B_3 108.0 . . ?
C2_3 C1_3 H1A_3 109.4 . . ?
C2_3 C1_3 H1B_3 109.4 . . ?
C1_3 C2_3 H2A_3 109.3 . . ?
C1_3 C2_3 H2B_3 109.3 . . ?
C1_3 C2_3 C3_3 111.42(13) . . ?
H2A_3 C2_3 H2B_3 108.0 . . ?
C3_3 C2_3 H2A_3 109.3 . . ?
C3_3 C2_3 H2B_3 109.3 . . ?
C2_3 C3_3 H3A_3 109.5 . . ?
C2_3 C3_3 H3B_3 109.5 . . ?
H3A_3 C3_3 H3B_3 108.1 . . ?
C4_3 C3_3 C2_3 110.60(12) . . ?
C4_3 C3_3 H3A_3 109.5 . . ?
C4_3 C3_3 H3B_3 109.5 . . ?
C3_3 C4_3 H4A_3 109.6 . . ?
C3_3 C4_3 H4B_3 109.6 . . ?
C3_3 C4_3 C5_3 110.23(12) . . ?
H4A_3 C4_3 H4B_3 108.1 . . ?
C5_3 C4_3 H4A_3 109.6 . . ?
C5_3 C4_3 H4B_3 109.6 . . ?
N2_3 C5_3 C4_3 110.21(12) . . ?
N2_3 C5_3 H5A_3 109.6 . . ?
N2_3 C5_3 H5B_3 109.6 . . ?
C4_3 C5_3 H5A_3 109.6 . . ?
C4_3 C5_3 H5B_3 109.6 . . ?
H5A_3 C5_3 H5B_3 108.1 . . ?
C1_4 N2_4 P1 114.22(10) . . ?
C1_4 N2_4 C5_4 111.80(12) . . ?
C5_4 N2_4 P1 121.57(10) . . ?
N2_4 C1_4 H1A_4 109.5 . . ?
N2_4 C1_4 H1B_4 109.5 . . ?
N2_4 C1_4 C2_4 110.62(12) . . ?
H1A_4 C1_4 H1B_4 108.1 . . ?
C2_4 C1_4 H1A_4 109.5 . . ?
C2_4 C1_4 H1B_4 109.5 . . ?
C1_4 C2_4 H2A_4 109.4 . . ?
C1_4 C2_4 H2B_4 109.4 . . ?
C1_4 C2_4 C3_4 110.96(13) . . ?
H2A_4 C2_4 H2B_4 108.0 . . ?
C3_4 C2_4 H2A_4 109.4 . . ?
C3_4 C2_4 H2B_4 109.4 . . ?
C2_4 C3_4 H3A_4 109.6 . . ?
C2_4 C3_4 H3B_4 109.6 . . ?
H3A_4 C3_4 H3B_4 108.1 . . ?
C4_4 C3_4 C2_4 110.25(13) . . ?
C4_4 C3_4 H3A_4 109.6 . . ?
C4_4 C3_4 H3B_4 109.6 . . ?
C3_4 C4_4 H4A_4 109.6 . . ?
C3_4 C4_4 H4B_4 109.6 . . ?
H4A_4 C4_4 H4B_4 108.1 . . ?
C5_4 C4_4 C3_4 110.13(13) . . ?
C5_4 C4_4 H4A_4 109.6 . . ?
C5_4 C4_4 H4B_4 109.6 . . ?
N2_4 C5_4 C4_4 110.11(12) . . ?
N2_4 C5_4 H5A_4 109.6 . . ?
N2_4 C5_4 H5B_4 109.6 . . ?
C4_4 C5_4 H5A_4 109.6 . . ?
C4_4 C5_4 H5B_4 109.6 . . ?
H5A_4 C5_4 H5B_4 108.2 . . ?
C1_5 N2_5 P1 112.35(10) . . ?
C1_5 N2_5 C5_5 110.24(12) . . ?
C5_5 N2_5 P1 115.35(10) . . ?
N2_5 C1_5 H1A_5 109.5 . . ?
N2_5 C1_5 H1B_5 109.5 . . ?
N2_5 C1_5 C2_5 110.83(12) . . ?
H1A_5 C1_5 H1B_5 108.1 . . ?
C2_5 C1_5 H1A_5 109.5 . . ?
C2_5 C1_5 H1B_5 109.5 . . ?
C1_5 C2_5 H2A_5 109.4 . . ?
C1_5 C2_5 H2B_5 109.4 . . ?
C1_5 C2_5 C3_5 111.00(13) . . ?
H2A_5 C2_5 H2B_5 108.0 . . ?
C3_5 C2_5 H2A_5 109.4 . . ?
C3_5 C2_5 H2B_5 109.4 . . ?
C2_5 C3_5 H3A_5 109.8 . . ?
C2_5 C3_5 H3B_5 109.8 . . ?
H3A_5 C3_5 H3B_5 108.2 . . ?
C4_5 C3_5 C2_5 109.54(13) . . ?
C4_5 C3_5 H3A_5 109.8 . . ?
C4_5 C3_5 H3B_5 109.8 . . ?
C3_5 C4_5 H4A_5 109.5 . . ?
C3_5 C4_5 H4B_5 109.5 . . ?
H4A_5 C4_5 H4B_5 108.1 . . ?
C5_5 C4_5 C3_5 110.76(13) . . ?
C5_5 C4_5 H4A_5 109.5 . . ?
C5_5 C4_5 H4B_5 109.5 . . ?
N2_5 C5_5 C4_5 110.69(12) . . ?
N2_5 C5_5 H5A_5 109.5 . . ?
N2_5 C5_5 H5B_5 109.5 . . ?
C4_5 C5_5 H5A_5 109.5 . . ?
C4_5 C5_5 H5B_5 109.5 . . ?
H5A_5 C5_5 H5B_5 108.1 . . ?
C1_6 N2_6 P2 122.15(11) . . ?
C5_6 N2_6 P2 125.82(11) . . ?
C5_6 N2_6 C1_6 111.98(12) . . ?
N2_6 C1_6 H1A_6 109.7 . . ?
N2_6 C1_6 H1B_6 109.7 . . ?
N2_6 C1_6 C2_6 109.84(13) . . ?
H1A_6 C1_6 H1B_6 108.2 . . ?
C2_6 C1_6 H1A_6 109.7 . . ?
C2_6 C1_6 H1B_6 109.7 . . ?
C1_6 C2_6 H2A_6 109.6 . . ?
C1_6 C2_6 H2B_6 109.6 . . ?
C1_6 C2_6 C3_6 110.25(14) . . ?
H2A_6 C2_6 H2B_6 108.1 . . ?
C3_6 C2_6 H2A_6 109.6 . . ?
C3_6 C2_6 H2B_6 109.6 . . ?
C2_6 C3_6 H3A_6 109.5 . . ?
C2_6 C3_6 H3B_6 109.5 . . ?
H3A_6 C3_6 H3B_6 108.1 . . ?
C4_6 C3_6 C2_6 110.55(14) . . ?
C4_6 C3_6 H3A_6 109.5 . . ?
C4_6 C3_6 H3B_6 109.5 . . ?
C3_6 C4_6 H4A_6 109.5 . . ?
C3_6 C4_6 H4B_6 109.5 . . ?
H4A_6 C4_6 H4B_6 108.1 . . ?
C5_6 C4_6 C3_6 110.78(14) . . ?
C5_6 C4_6 H4A_6 109.5 . . ?
C5_6 C4_6 H4B_6 109.5 . . ?
N2_6 C5_6 C4_6 110.47(13) . . ?
N2_6 C5_6 H5A_6 109.6 . . ?
N2_6 C5_6 H5B_6 109.6 . . ?
C4_6 C5_6 H5A_6 109.6 . . ?
C4_6 C5_6 H5B_6 109.6 . . ?
H5A_6 C5_6 H5B_6 108.1 . . ?
C1_7 N2_7 P2 117.15(10) . . ?
C5_7 N2_7 P2 120.73(10) . . ?
C5_7 N2_7 C1_7 111.43(12) . . ?
N2_7 C1_7 H1A_7 109.7 . . ?
N2_7 C1_7 H1B_7 109.7 . . ?
N2_7 C1_7 C2_7 109.86(12) . . ?
H1A_7 C1_7 H1B_7 108.2 . . ?
C2_7 C1_7 H1A_7 109.7 . . ?
C2_7 C1_7 H1B_7 109.7 . . ?
C1_7 C2_7 H2A_7 109.5 . . ?
C1_7 C2_7 H2B_7 109.5 . . ?
C1_7 C2_7 C3_7 110.57(13) . . ?
H2A_7 C2_7 H2B_7 108.1 . . ?
C3_7 C2_7 H2A_7 109.5 . . ?
C3_7 C2_7 H2B_7 109.5 . . ?
C2_7 C3_7 H3A_7 109.4 . . ?
C2_7 C3_7 H3B_7 109.4 . . ?
H3A_7 C3_7 H3B_7 108.0 . . ?
C4_7 C3_7 C2_7 111.12(13) . . ?
C4_7 C3_7 H3A_7 109.4 . . ?
C4_7 C3_7 H3B_7 109.4 . . ?
C3_7 C4_7 H4A_7 109.4 . . ?
C3_7 C4_7 H4B_7 109.4 . . ?
C3_7 C4_7 C5_7 111.32(13) . . ?
H4A_7 C4_7 H4B_7 108.0 . . ?
C5_7 C4_7 H4A_7 109.4 . . ?
C5_7 C4_7 H4B_7 109.4 . . ?
N2_7 C5_7 C4_7 109.69(12) . . ?
N2_7 C5_7 H5A_7 109.7 . . ?
N2_7 C5_7 H5B_7 109.7 . . ?
C4_7 C5_7 H5A_7 109.7 . . ?
C4_7 C5_7 H5B_7 109.7 . . ?
H5A_7 C5_7 H5B_7 108.2 . . ?
C1_8 N2_8 P3 116.72(9) . . ?
C1_8 N2_8 C5_8 110.19(12) . . ?
C5_8 N2_8 P3 117.40(10) . . ?
N2_8 C1_8 H1A_8 109.7 . . ?
N2_8 C1_8 H1B_8 109.7 . . ?
N2_8 C1_8 C2_8 109.64(11) . . ?
H1A_8 C1_8 H1B_8 108.2 . . ?
C2_8 C1_8 H1A_8 109.7 . . ?
C2_8 C1_8 H1B_8 109.7 . . ?
C1_8 C2_8 H2A_8 109.6 . . ?
C1_8 C2_8 H2B_8 109.6 . . ?
C1_8 C2_8 C3_8 110.27(12) . . ?
H2A_8 C2_8 H2B_8 108.1 . . ?
C3_8 C2_8 H2A_8 109.6 . . ?
C3_8 C2_8 H2B_8 109.6 . . ?
C2_8 C3_8 H3A_8 109.6 . . ?
C2_8 C3_8 H3B_8 109.6 . . ?
H3A_8 C3_8 H3B_8 108.1 . . ?
C4_8 C3_8 C2_8 110.17(12) . . ?
C4_8 C3_8 H3A_8 109.6 . . ?
C4_8 C3_8 H3B_8 109.6 . . ?
C3_8 C4_8 H4A_8 109.2 . . ?
C3_8 C4_8 H4B_8 109.2 . . ?
H4A_8 C4_8 H4B_8 107.9 . . ?
C5_8 C4_8 C3_8 111.86(12) . . ?
C5_8 C4_8 H4A_8 109.2 . . ?
C5_8 C4_8 H4B_8 109.2 . . ?
N2_8 C5_8 C4_8 110.78(12) . . ?
N2_8 C5_8 H5A_8 109.5 . . ?
N2_8 C5_8 H5B_8 109.5 . . ?
C4_8 C5_8 H5A_8 109.5 . . ?
C4_8 C5_8 H5B_8 109.5 . . ?
H5A_8 C5_8 H5B_8 108.1 . . ?
C1_9 N2_9 P3 122.53(11) . . ?
C1_9 N2_9 C5_9 112.35(12) . . ?
C5_9 N2_9 P3 125.10(10) . . ?
N2_9 C1_9 H1A_9 109.5 . . ?
N2_9 C1_9 H1B_9 109.5 . . ?
N2_9 C1_9 C2_9 110.84(12) . . ?
H1A_9 C1_9 H1B_9 108.1 . . ?
C2_9 C1_9 H1A_9 109.5 . . ?
C2_9 C1_9 H1B_9 109.5 . . ?
C1_9 C2_9 H2A_9 109.4 . . ?
C1_9 C2_9 H2B_9 109.4 . . ?
C1_9 C2_9 C3_9 111.16(13) . . ?
H2A_9 C2_9 H2B_9 108.0 . . ?
C3_9 C2_9 H2A_9 109.4 . . ?
C3_9 C2_9 H2B_9 109.4 . . ?
C2_9 C3_9 H3A_9 109.6 . . ?
C2_9 C3_9 H3B_9 109.6 . . ?
H3A_9 C3_9 H3B_9 108.1 . . ?
C4_9 C3_9 C2_9 110.35(13) . . ?
C4_9 C3_9 H3A_9 109.6 . . ?
C4_9 C3_9 H3B_9 109.6 . . ?
C3_9 C4_9 H4A_9 109.4 . . ?
C3_9 C4_9 H4B_9 109.4 . . ?
H4A_9 C4_9 H4B_9 108.0 . . ?
C5_9 C4_9 C3_9 111.08(13) . . ?
C5_9 C4_9 H4A_9 109.4 . . ?
C5_9 C4_9 H4B_9 109.4 . . ?
N2_9 C5_9 C4_9 111.48(12) . . ?
N2_9 C5_9 H5A_9 109.3 . . ?
N2_9 C5_9 H5B_9 109.3 . . ?
C4_9 C5_9 H5A_9 109.3 . . ?
C4_9 C5_9 H5B_9 109.3 . . ?
H5A_9 C5_9 H5B_9 108.0 . . ?
C1_10 N2_10 P3 113.55(9) . . ?
C1_10 N2_10 C5_10 111.03(12) . . ?
C5_10 N2_10 P3 121.76(10) . . ?
N2_10 C1_10 H1A_10 109.3 . . ?
N2_10 C1_10 H1B_10 109.3 . . ?
N2_10 C1_10 C2_10 111.81(12) . . ?
H1A_10 C1_10 H1B_10 107.9 . . ?
C2_10 C1_10 H1A_10 109.3 . . ?
C2_10 C1_10 H1B_10 109.3 . . ?
C1_10 C2_10 H2A_10 109.3 . . ?
C1_10 C2_10 H2B_10 109.3 . . ?
C1_10 C2_10 C3_10 111.54(12) . . ?
H2A_10 C2_10 H2B_10 108.0 . . ?
C3_10 C2_10 H2A_10 109.3 . . ?
C3_10 C2_10 H2B_10 109.3 . . ?
C2_10 C3_10 H3A_10 109.8 . . ?
C2_10 C3_10 H3B_10 109.8 . . ?
H3A_10 C3_10 H3B_10 108.3 . . ?
C4_10 C3_10 C2_10 109.20(12) . . ?
C4_10 C3_10 H3A_10 109.8 . . ?
C4_10 C3_10 H3B_10 109.8 . . ?
C3_10 C4_10 H4A_10 109.6 . . ?
C3_10 C4_10 H4B_10 109.6 . . ?
H4A_10 C4_10 H4B_10 108.1 . . ?
C5_10 C4_10 C3_10 110.20(12) . . ?
C5_10 C4_10 H4A_10 109.6 . . ?
C5_10 C4_10 H4B_10 109.6 . . ?
N2_10 C5_10 C4_10 110.46(12) . . ?
N2_10 C5_10 H5A_10 109.6 . . ?
N2_10 C5_10 H5B_10 109.6 . . ?
C4_10 C5_10 H5A_10 109.6 . . ?
C4_10 C5_10 H5B_10 109.6 . . ?
H5A_10 C5_10 H5B_10 108.1 . . ?
C1_11 N2_11 P5 116.15(11) . . ?
C1_11 N2_11 C5_11 110.25(13) . . ?
C5_11 N2_11 P5 117.52(11) . . ?
N2_11 C1_11 H1A_11 109.5 . . ?
N2_11 C1_11 H1B_11 109.5 . . ?
N2_11 C1_11 C2_11 110.53(13) . . ?
H1A_11 C1_11 H1B_11 108.1 . . ?
C2_11 C1_11 H1A_11 109.5 . . ?
C2_11 C1_11 H1B_11 109.5 . . ?
C1_11 C2_11 H2A_11 109.2 . . ?
C1_11 C2_11 H2B_11 109.2 . . ?
C1_11 C2_11 C3_11 112.11(14) . . ?
H2A_11 C2_11 H2B_11 107.9 . . ?
C3_11 C2_11 H2A_11 109.2 . . ?
C3_11 C2_11 H2B_11 109.2 . . ?
C2_11 C3_11 H3A_11 109.6 . . ?
C2_11 C3_11 H3B_11 109.6 . . ?
H3A_11 C3_11 H3B_11 108.2 . . ?
C4_11 C3_11 C2_11 110.10(14) . . ?
C4_11 C3_11 H3A_11 109.6 . . ?
C4_11 C3_11 H3B_11 109.6 . . ?
C3_11 C4_11 H4A_11 109.7 . . ?
C3_11 C4_11 H4B_11 109.7 . . ?
H4A_11 C4_11 H4B_11 108.2 . . ?
C5_11 C4_11 C3_11 109.97(14) . . ?
C5_11 C4_11 H4A_11 109.7 . . ?
C5_11 C4_11 H4B_11 109.7 . . ?
N2_11 C5_11 C4_11 109.69(12) . . ?
N2_11 C5_11 H5A_11 109.7 . . ?
N2_11 C5_11 H5B_11 109.7 . . ?
C4_11 C5_11 H5A_11 109.7 . . ?
C4_11 C5_11 H5B_11 109.7 . . ?
H5A_11 C5_11 H5B_11 108.2 . . ?
C1_12 N2_12 P5 120.24(11) . . ?
C5_12 N2_12 P5 122.73(11) . . ?
C5_12 N2_12 C1_12 112.07(13) . . ?
N2_12 C1_12 H1A_12 109.4 . . ?
N2_12 C1_12 H1B_12 109.4 . . ?
N2_12 C1_12 C2_12 111.03(14) . . ?
H1A_12 C1_12 H1B_12 108.0 . . ?
C2_12 C1_12 H1A_12 109.4 . . ?
C2_12 C1_12 H1B_12 109.4 . . ?
C1_12 C2_12 H2A_12 109.6 . . ?
C1_12 C2_12 H2B_12 109.6 . . ?
C1_12 C2_12 C3_12 110.49(14) . . ?
H2A_12 C2_12 H2B_12 108.1 . . ?
C3_12 C2_12 H2A_12 109.6 . . ?
C3_12 C2_12 H2B_12 109.6 . . ?
C2_12 C3_12 H3A_12 109.7 . . ?
C2_12 C3_12 H3B_12 109.7 . . ?
H3A_12 C3_12 H3B_12 108.2 . . ?
C4_12 C3_12 C2_12 109.68(14) . . ?
C4_12 C3_12 H3A_12 109.7 . . ?
C4_12 C3_12 H3B_12 109.7 . . ?
C3_12 C4_12 H4A_12 109.3 . . ?
C3_12 C4_12 H4B_12 109.3 . . ?
H4A_12 C4_12 H4B_12 108.0 . . ?
C5_12 C4_12 C3_12 111.62(15) . . ?
C5_12 C4_12 H4A_12 109.3 . . ?
C5_12 C4_12 H4B_12 109.3 . . ?
N2_12 C5_12 C4_12 111.86(14) . . ?
N2_12 C5_12 H5A_12 109.2 . . ?
N2_12 C5_12 H5B_12 109.2 . . ?
C4_12 C5_12 H5A_12 109.2 . . ?
C4_12 C5_12 H5B_12 109.2 . . ?
H5A_12 C5_12 H5B_12 107.9 . . ?
C1_13 N2_13 P8 118.68(10) . . ?
C5_13 N2_13 P8 116.69(9) . . ?
C5_13 N2_13 C1_13 110.66(12) . . ?
N2_13 C1_13 H1A_13 109.7 . . ?
N2_13 C1_13 H1B_13 109.7 . . ?
N2_13 C1_13 C2_13 109.75(11) . . ?
H1A_13 C1_13 H1B_13 108.2 . . ?
C2_13 C1_13 H1A_13 109.7 . . ?
C2_13 C1_13 H1B_13 109.7 . . ?
C1_13 C2_13 H2A_13 109.3 . . ?
C1_13 C2_13 H2B_13 109.3 . . ?
C1_13 C2_13 C3_13 111.41(12) . . ?
H2A_13 C2_13 H2B_13 108.0 . . ?
C3_13 C2_13 H2A_13 109.3 . . ?
C3_13 C2_13 H2B_13 109.3 . . ?
C2_13 C3_13 H3A_13 109.5 . . ?
C2_13 C3_13 H3B_13 109.5 . . ?
H3A_13 C3_13 H3B_13 108.1 . . ?
C4_13 C3_13 C2_13 110.85(12) . . ?
C4_13 C3_13 H3A_13 109.5 . . ?
C4_13 C3_13 H3B_13 109.5 . . ?
C3_13 C4_13 H4A_13 109.5 . . ?
C3_13 C4_13 H4B_13 109.5 . . ?
H4A_13 C4_13 H4B_13 108.1 . . ?
C5_13 C4_13 C3_13 110.69(12) . . ?
C5_13 C4_13 H4A_13 109.5 . . ?
C5_13 C4_13 H4B_13 109.5 . . ?
N2_13 C5_13 C4_13 110.02(11) . . ?
N2_13 C5_13 H5A_13 109.7 . . ?
N2_13 C5_13 H5B_13 109.7 . . ?
C4_13 C5_13 H5A_13 109.7 . . ?
C4_13 C5_13 H5B_13 109.7 . . ?
H5A_13 C5_13 H5B_13 108.2 . . ?
C1_14 N2_14 P5 122.48(10) . . ?
C5_14 N2_14 P5 114.24(10) . . ?
C5_14 N2_14 C1_14 111.37(13) . . ?
N2_14 C1_14 H1A_14 109.6 . . ?
N2_14 C1_14 H1B_14 109.6 . . ?
N2_14 C1_14 C2_14 110.28(12) . . ?
H1A_14 C1_14 H1B_14 108.1 . . ?
C2_14 C1_14 H1A_14 109.6 . . ?
C2_14 C1_14 H1B_14 109.6 . . ?
C1_14 C2_14 H2A_14 109.6 . . ?
C1_14 C2_14 H2B_14 109.6 . . ?
C1_14 C2_14 C3_14 110.20(13) . . ?
H2A_14 C2_14 H2B_14 108.1 . . ?
C3_14 C2_14 H2A_14 109.6 . . ?
C3_14 C2_14 H2B_14 109.6 . . ?
C2_14 C3_14 H3A_14 109.8 . . ?
C2_14 C3_14 H3B_14 109.8 . . ?
H3A_14 C3_14 H3B_14 108.3 . . ?
C4_14 C3_14 C2_14 109.33(13) . . ?
C4_14 C3_14 H3A_14 109.8 . . ?
C4_14 C3_14 H3B_14 109.8 . . ?
C3_14 C4_14 H4A_14 109.3 . . ?
C3_14 C4_14 H4B_14 109.3 . . ?
H4A_14 C4_14 H4B_14 108.0 . . ?
C5_14 C4_14 C3_14 111.47(13) . . ?
C5_14 C4_14 H4A_14 109.3 . . ?
C5_14 C4_14 H4B_14 109.3 . . ?
N2_14 C5_14 C4_14 112.02(13) . . ?
N2_14 C5_14 H5A_14 109.2 . . ?
N2_14 C5_14 H5B_14 109.2 . . ?
C4_14 C5_14 H5A_14 109.2 . . ?
C4_14 C5_14 H5B_14 109.2 . . ?
H5A_14 C5_14 H5B_14 107.9 . . ?
C1_15 N2_15 P6 120.08(10) . . ?
C1_15 N2_15 C5_15 111.04(12) . . ?
C5_15 N2_15 P6 116.28(10) . . ?
N2_15 C1_15 H1A_15 109.7 . . ?
N2_15 C1_15 H1B_15 109.7 . . ?
N2_15 C1_15 C2_15 109.75(12) . . ?
H1A_15 C1_15 H1B_15 108.2 . . ?
C2_15 C1_15 H1A_15 109.7 . . ?
C2_15 C1_15 H1B_15 109.7 . . ?
C1_15 C2_15 H2A_15 109.4 . . ?
C1_15 C2_15 H2B_15 109.4 . . ?
C1_15 C2_15 C3_15 111.25(13) . . ?
H2A_15 C2_15 H2B_15 108.0 . . ?
C3_15 C2_15 H2A_15 109.4 . . ?
C3_15 C2_15 H2B_15 109.4 . . ?
C2_15 C3_15 H3A_15 109.4 . . ?
C2_15 C3_15 H3B_15 109.4 . . ?
H3A_15 C3_15 H3B_15 108.0 . . ?
C4_15 C3_15 C2_15 111.31(13) . . ?
C4_15 C3_15 H3A_15 109.4 . . ?
C4_15 C3_15 H3B_15 109.4 . . ?
C3_15 C4_15 H4A_15 109.6 . . ?
C3_15 C4_15 H4B_15 109.6 . . ?
H4A_15 C4_15 H4B_15 108.1 . . ?
C5_15 C4_15 C3_15 110.42(12) . . ?
C5_15 C4_15 H4A_15 109.6 . . ?
C5_15 C4_15 H4B_15 109.6 . . ?
N2_15 C5_15 C4_15 109.27(12) . . ?
N2_15 C5_15 H5A_15 109.8 . . ?
N2_15 C5_15 H5B_15 109.8 . . ?
C4_15 C5_15 H5A_15 109.8 . . ?
C4_15 C5_15 H5B_15 109.8 . . ?
H5A_15 C5_15 H5B_15 108.3 . . ?
C1_16 N2_16 P7 113.0(2) . . ?
C1_16 N2_16 C5_16 109.48(19) . . ?
C5_16 N2_16 P7 109.3(2) . . ?
N2_16 C1_16 H1A_16 110.1 . . ?
N2_16 C1_16 H1B_16 110.1 . . ?
N2_16 C1_16 C2_16 108.17(17) . . ?
H1A_16 C1_16 H1B_16 108.4 . . ?
C2_16 C1_16 H1A_16 110.1 . . ?
C2_16 C1_16 H1B_16 110.1 . . ?
C1_16 C2_16 H2A_16 109.5 . . ?
C1_16 C2_16 H2B_16 109.5 . . ?
C1_16 C2_16 C3_16 110.81(17) . . ?
H2A_16 C2_16 H2B_16 108.1 . . ?
C3_16 C2_16 H2A_16 109.5 . . ?
C3_16 C2_16 H2B_16 109.5 . . ?
C2_16 C3_16 H3A_16 109.5 . . ?
C2_16 C3_16 H3B_16 109.5 . . ?
H3A_16 C3_16 H3B_16 108.1 . . ?
C4_16 C3_16 C2_16 110.64(17) . . ?
C4_16 C3_16 H3A_16 109.5 . . ?
C4_16 C3_16 H3B_16 109.5 . . ?
C3_16 C4_16 H4A_16 109.5 . . ?
C3_16 C4_16 H4B_16 109.5 . . ?
C3_16 C4_16 C5_16 110.76(17) . . ?
H4A_16 C4_16 H4B_16 108.1 . . ?
C5_16 C4_16 H4A_16 109.5 . . ?
C5_16 C4_16 H4B_16 109.5 . . ?
N2_16 C5_16 C4_16 108.54(17) . . ?
N2_16 C5_16 H5A_16 110.0 . . ?
N2_16 C5_16 H5B_16 110.0 . . ?
C4_16 C5_16 H5A_16 110.0 . . ?
C4_16 C5_16 H5B_16 110.0 . . ?
H5A_16 C5_16 H5B_16 108.4 . . ?
C1_17 N2_17 P7 123.6(2) . . ?
C1_17 N2_17 C5_17 109.54(17) . . ?
C5_17 N2_17 P7 125.6(2) . . ?
N2_17 C1_17 H1A_17 109.5 . . ?
N2_17 C1_17 H1B_17 109.5 . . ?
N2_17 C1_17 C2_17 110.60(19) . . ?
H1A_17 C1_17 H1B_17 108.1 . . ?
C2_17 C1_17 H1A_17 109.5 . . ?
C2_17 C1_17 H1B_17 109.5 . . ?
C1_17 C2_17 H2A_17 109.5 . . ?
C1_17 C2_17 H2B_17 109.5 . . ?
C1_17 C2_17 C3_17 110.70(17) . . ?
H2A_17 C2_17 H2B_17 108.1 . . ?
C3_17 C2_17 H2A_17 109.5 . . ?
C3_17 C2_17 H2B_17 109.5 . . ?
C2_17 C3_17 H3A_17 109.8 . . ?
C2_17 C3_17 H3B_17 109.8 . . ?
H3A_17 C3_17 H3B_17 108.3 . . ?
C4_17 C3_17 C2_17 109.33(17) . . ?
C4_17 C3_17 H3A_17 109.8 . . ?
C4_17 C3_17 H3B_17 109.8 . . ?
C3_17 C4_17 H4A_17 109.5 . . ?
C3_17 C4_17 H4B_17 109.5 . . ?
H4A_17 C4_17 H4B_17 108.1 . . ?
C5_17 C4_17 C3_17 110.85(18) . . ?
C5_17 C4_17 H4A_17 109.5 . . ?
C5_17 C4_17 H4B_17 109.5 . . ?
N2_17 C5_17 C4_17 110.50(19) . . ?
N2_17 C5_17 H5A_17 109.5 . . ?
N2_17 C5_17 H5B_17 109.5 . . ?
C4_17 C5_17 H5A_17 109.5 . . ?
C4_17 C5_17 H5B_17 109.5 . . ?
H5A_17 C5_17 H5B_17 108.1 . . ?
C1_18 N2_18 P7 122.04(10) . . ?
C1_18 N2_18 C5_18 111.15(13) . . ?
C5_18 N2_18 P7 114.87(10) . . ?
N2_18 C1_18 H1A_18 109.5 . . ?
N2_18 C1_18 H1B_18 109.5 . . ?
N2_18 C1_18 C2_18 110.51(12) . . ?
H1A_18 C1_18 H1B_18 108.1 . . ?
C2_18 C1_18 H1A_18 109.5 . . ?
C2_18 C1_18 H1B_18 109.5 . . ?
C1_18 C2_18 H2A_18 109.5 . . ?
C1_18 C2_18 H2B_18 109.5 . . ?
C1_18 C2_18 C3_18 110.66(13) . . ?
H2A_18 C2_18 H2B_18 108.1 . . ?
C3_18 C2_18 H2A_18 109.5 . . ?
C3_18 C2_18 H2B_18 109.5 . . ?
C2_18 C3_18 H3A_18 109.7 . . ?
C2_18 C3_18 H3B_18 109.7 . . ?
H3A_18 C3_18 H3B_18 108.2 . . ?
C4_18 C3_18 C2_18 109.85(13) . . ?
C4_18 C3_18 H3A_18 109.7 . . ?
C4_18 C3_18 H3B_18 109.7 . . ?
C3_18 C4_18 H4A_18 109.4 . . ?
C3_18 C4_18 H4B_18 109.4 . . ?
H4A_18 C4_18 H4B_18 108.0 . . ?
C5_18 C4_18 C3_18 110.99(14) . . ?
C5_18 C4_18 H4A_18 109.4 . . ?
C5_18 C4_18 H4B_18 109.4 . . ?
N2_18 C5_18 C4_18 110.96(13) . . ?
N2_18 C5_18 H5A_18 109.4 . . ?
N2_18 C5_18 H5B_18 109.4 . . ?
C4_18 C5_18 H5A_18 109.4 . . ?
C4_18 C5_18 H5B_18 109.4 . . ?
H5A_18 C5_18 H5B_18 108.0 . . ?
C1_19 N2_19 P7 125.13(11) . . ?
C1_19 N2_19 C5_19 112.94(12) . . ?
C5_19 N2_19 P7 120.79(11) . . ?
N2_19 C1_19 H1A_19 109.5 . . ?
N2_19 C1_19 H1B_19 109.5 . . ?
N2_19 C1_19 C2_19 110.90(13) . . ?
H1A_19 C1_19 H1B_19 108.0 . . ?
C2_19 C1_19 H1A_19 109.5 . . ?
C2_19 C1_19 H1B_19 109.5 . . ?
C1_19 C2_19 H2A_19 109.5 . . ?
C1_19 C2_19 H2B_19 109.5 . . ?
C1_19 C2_19 C3_19 110.58(13) . . ?
H2A_19 C2_19 H2B_19 108.1 . . ?
C3_19 C2_19 H2A_19 109.5 . . ?
C3_19 C2_19 H2B_19 109.5 . . ?
C2_19 C3_19 H3A_19 109.6 . . ?
C2_19 C3_19 H3B_19 109.6 . . ?
H3A_19 C3_19 H3B_19 108.1 . . ?
C4_19 C3_19 C2_19 110.47(14) . . ?
C4_19 C3_19 H3A_19 109.6 . . ?
C4_19 C3_19 H3B_19 109.6 . . ?
C3_19 C4_19 H4A_19 109.5 . . ?
C3_19 C4_19 H4B_19 109.5 . . ?
H4A_19 C4_19 H4B_19 108.1 . . ?
C5_19 C4_19 C3_19 110.72(14) . . ?
C5_19 C4_19 H4A_19 109.5 . . ?
C5_19 C4_19 H4B_19 109.5 . . ?
N2_19 C5_19 C4_19 110.09(13) . . ?
N2_19 C5_19 H5A_19 109.6 . . ?
N2_19 C5_19 H5B_19 109.6 . . ?
C4_19 C5_19 H5A_19 109.6 . . ?
C4_19 C5_19 H5B_19 109.6 . . ?
H5A_19 C5_19 H5B_19 108.2 . . ?
C1_20 N2_20 P6 119.90(10) . . ?
C5_20 N2_20 P6 125.97(11) . . ?
C5_20 N2_20 C1_20 111.90(12) . . ?
N2_20 C1_20 H1A_20 109.5 . . ?
N2_20 C1_20 H1B_20 109.5 . . ?
N2_20 C1_20 C2_20 110.81(13) . . ?
H1A_20 C1_20 H1B_20 108.1 . . ?
C2_20 C1_20 H1A_20 109.5 . . ?
C2_20 C1_20 H1B_20 109.5 . . ?
C1_20 C2_20 H2A_20 109.4 . . ?
C1_20 C2_20 H2B_20 109.4 . . ?
C1_20 C2_20 C3_20 111.02(13) . . ?
H2A_20 C2_20 H2B_20 108.0 . . ?
C3_20 C2_20 H2A_20 109.4 . . ?
C3_20 C2_20 H2B_20 109.4 . . ?
C2_20 C3_20 H3A_20 109.6 . . ?
C2_20 C3_20 H3B_20 109.6 . . ?
H3A_20 C3_20 H3B_20 108.1 . . ?
C4_20 C3_20 C2_20 110.15(13) . . ?
C4_20 C3_20 H3A_20 109.6 . . ?
C4_20 C3_20 H3B_20 109.6 . . ?
C3_20 C4_20 H4A_20 109.5 . . ?
C3_20 C4_20 H4B_20 109.5 . . ?
H4A_20 C4_20 H4B_20 108.1 . . ?
C5_20 C4_20 C3_20 110.54(14) . . ?
C5_20 C4_20 H4A_20 109.5 . . ?
C5_20 C4_20 H4B_20 109.5 . . ?
N2_20 C5_20 C4_20 109.96(13) . . ?
N2_20 C5_20 H5A_20 109.7 . . ?
N2_20 C5_20 H5B_20 109.7 . . ?
C4_20 C5_20 H5A_20 109.7 . . ?
C4_20 C5_20 H5B_20 109.7 . . ?
H5A_20 C5_20 H5B_20 108.2 . . ?
C1_21 N2_21 P8 121.13(10) . . ?
C1_21 N2_21 C5_21 111.78(12) . . ?
C5_21 N2_21 P8 121.22(10) . . ?
N2_21 C1_21 H1A_21 109.5 . . ?
N2_21 C1_21 H1B_21 109.5 . . ?
N2_21 C1_21 C2_21 110.53(12) . . ?
H1A_21 C1_21 H1B_21 108.1 . . ?
C2_21 C1_21 H1A_21 109.5 . . ?
C2_21 C1_21 H1B_21 109.5 . . ?
C1_21 C2_21 H2A_21 109.4 . . ?
C1_21 C2_21 H2B_21 109.4 . . ?
C1_21 C2_21 C3_21 111.17(13) . . ?
H2A_21 C2_21 H2B_21 108.0 . . ?
C3_21 C2_21 H2A_21 109.4 . . ?
C3_21 C2_21 H2B_21 109.4 . . ?
C2_21 C3_21 H3A_21 109.6 . . ?
C2_21 C3_21 H3B_21 109.6 . . ?
H3A_21 C3_21 H3B_21 108.1 . . ?
C4_21 C3_21 C2_21 110.18(13) . . ?
C4_21 C3_21 H3A_21 109.6 . . ?
C4_21 C3_21 H3B_21 109.6 . . ?
C3_21 C4_21 H4A_21 109.5 . . ?
C3_21 C4_21 H4B_21 109.5 . . ?
H4A_21 C4_21 H4B_21 108.1 . . ?
C5_21 C4_21 C3_21 110.59(13) . . ?
C5_21 C4_21 H4A_21 109.5 . . ?
C5_21 C4_21 H4B_21 109.5 . . ?
N2_21 C5_21 C4_21 110.56(12) . . ?
N2_21 C5_21 H5A_21 109.5 . . ?
N2_21 C5_21 H5B_21 109.5 . . ?
C4_21 C5_21 H5A_21 109.5 . . ?
C4_21 C5_21 H5B_21 109.5 . . ?
H5A_21 C5_21 H5B_21 108.1 . . ?
C1_22 N2_22 P4 116.90(10) . . ?
C1_22 N2_22 C5_22 110.76(11) . . ?
C5_22 N2_22 P4 117.84(10) . . ?
N2_22 C1_22 H1A_22 109.6 . . ?
N2_22 C1_22 H1B_22 109.6 . . ?
N2_22 C1_22 C2_22 110.41(12) . . ?
H1A_22 C1_22 H1B_22 108.1 . . ?
C2_22 C1_22 H1A_22 109.6 . . ?
C2_22 C1_22 H1B_22 109.6 . . ?
C1_22 C2_22 H2A_22 109.5 . . ?
C1_22 C2_22 H2B_22 109.5 . . ?
C1_22 C2_22 C3_22 110.67(12) . . ?
H2A_22 C2_22 H2B_22 108.1 . . ?
C3_22 C2_22 H2A_22 109.5 . . ?
C3_22 C2_22 H2B_22 109.5 . . ?
C2_22 C3_22 H3A_22 109.5 . . ?
C2_22 C3_22 H3B_22 109.5 . . ?
H3A_22 C3_22 H3B_22 108.1 . . ?
C4_22 C3_22 C2_22 110.60(12) . . ?
C4_22 C3_22 H3A_22 109.5 . . ?
C4_22 C3_22 H3B_22 109.5 . . ?
C3_22 C4_22 H4A_22 109.4 . . ?
C3_22 C4_22 H4B_22 109.4 . . ?
H4A_22 C4_22 H4B_22 108.0 . . ?
C5_22 C4_22 C3_22 111.28(12) . . ?
C5_22 C4_22 H4A_22 109.4 . . ?
C5_22 C4_22 H4B_22 109.4 . . ?
N2_22 C5_22 C4_22 109.46(12) . . ?
N2_22 C5_22 H5A_22 109.8 . . ?
N2_22 C5_22 H5B_22 109.8 . . ?
C4_22 C5_22 H5A_22 109.8 . . ?
C4_22 C5_22 H5B_22 109.8 . . ?
H5A_22 C5_22 H5B_22 108.2 . . ?
C1_23 N2_23 P8 121.84(10) . . ?
C1_23 N2_23 C5_23 111.32(11) . . ?
C5_23 N2_23 P8 115.27(9) . . ?
N2_23 C1_23 H1A_23 109.7 . . ?
N2_23 C1_23 H1B_23 109.7 . . ?
N2_23 C1_23 C2_23 109.73(11) . . ?
H1A_23 C1_23 H1B_23 108.2 . . ?
C2_23 C1_23 H1A_23 109.7 . . ?
C2_23 C1_23 H1B_23 109.7 . . ?
C1_23 C2_23 H2A_23 109.5 . . ?
C1_23 C2_23 H2B_23 109.5 . . ?
C1_23 C2_23 C3_23 110.78(12) . . ?
H2A_23 C2_23 H2B_23 108.1 . . ?
C3_23 C2_23 H2A_23 109.5 . . ?
C3_23 C2_23 H2B_23 109.5 . . ?
C2_23 C3_23 H3A_23 109.6 . . ?
C2_23 C3_23 H3B_23 109.6 . . ?
H3A_23 C3_23 H3B_23 108.1 . . ?
C4_23 C3_23 C2_23 110.36(12) . . ?
C4_23 C3_23 H3A_23 109.6 . . ?
C4_23 C3_23 H3B_23 109.6 . . ?
C3_23 C4_23 H4A_23 109.4 . . ?
C3_23 C4_23 H4B_23 109.4 . . ?
H4A_23 C4_23 H4B_23 108.0 . . ?
C5_23 C4_23 C3_23 111.01(12) . . ?
C5_23 C4_23 H4A_23 109.4 . . ?
C5_23 C4_23 H4B_23 109.4 . . ?
N2_23 C5_23 C4_23 110.96(12) . . ?
N2_23 C5_23 H5A_23 109.4 . . ?
N2_23 C5_23 H5B_23 109.4 . . ?
C4_23 C5_23 H5A_23 109.4 . . ?
C4_23 C5_23 H5B_23 109.4 . . ?
H5A_23 C5_23 H5B_23 108.0 . . ?
C1_24 N2_24 P2 126.50(11) . . ?
C1_24 N2_24 C5_24 112.33(12) . . ?
C5_24 N2_24 P2 119.73(10) . . ?
N2_24 C1_24 H1A_24 109.6 . . ?
N2_24 C1_24 H1B_24 109.6 . . ?
N2_24 C1_24 C2_24 110.24(13) . . ?
H1A_24 C1_24 H1B_24 108.1 . . ?
C2_24 C1_24 H1A_24 109.6 . . ?
C2_24 C1_24 H1B_24 109.6 . . ?
C1_24 C2_24 H2A_24 109.6 . . ?
C1_24 C2_24 H2B_24 109.6 . . ?
C1_24 C2_24 C3_24 110.42(14) . . ?
H2A_24 C2_24 H2B_24 108.1 . . ?
C3_24 C2_24 H2A_24 109.6 . . ?
C3_24 C2_24 H2B_24 109.6 . . ?
C2_24 C3_24 H3A_24 109.6 . . ?
C2_24 C3_24 H3B_24 109.6 . . ?
H3A_24 C3_24 H3B_24 108.1 . . ?
C4_24 C3_24 C2_24 110.47(13) . . ?
C4_24 C3_24 H3A_24 109.6 . . ?
C4_24 C3_24 H3B_24 109.6 . . ?
C3_24 C4_24 H4A_24 109.4 . . ?
C3_24 C4_24 H4B_24 109.4 . . ?
H4A_24 C4_24 H4B_24 108.0 . . ?
C5_24 C4_24 C3_24 111.11(13) . . ?
C5_24 C4_24 H4A_24 109.4 . . ?
C5_24 C4_24 H4B_24 109.4 . . ?
N2_24 C5_24 C4_24 110.38(13) . . ?
N2_24 C5_24 H5A_24 109.6 . . ?
N2_24 C5_24 H5B_24 109.6 . . ?
C4_24 C5_24 H5A_24 109.6 . . ?
C4_24 C5_24 H5B_24 109.6 . . ?
H5A_24 C5_24 H5B_24 108.1 . . ?
C1_25 N2_25 P6 125.45(12) . . ?
C1_25 N2_25 C5_25 111.89(14) . . ?
C5_25 N2_25 P6 122.62(13) . . ?
N2_25 C1_25 H1A_25 109.6 . . ?
N2_25 C1_25 H1B_25 109.6 . . ?
N2_25 C1_25 C2_25 110.19(14) . . ?
H1A_25 C1_25 H1B_25 108.1 . . ?
C2_25 C1_25 H1A_25 109.6 . . ?
C2_25 C1_25 H1B_25 109.6 . . ?
C1_25 C2_25 H2A_25 109.4 . . ?
C1_25 C2_25 H2B_25 109.4 . . ?
C1_25 C2_25 C3_25 110.95(15) . . ?
H2A_25 C2_25 H2B_25 108.0 . . ?
C3_25 C2_25 H2A_25 109.4 . . ?
C3_25 C2_25 H2B_25 109.4 . . ?
C2_25 C3_25 H3A_25 109.5 . . ?
C2_25 C3_25 H3B_25 109.5 . . ?
H3A_25 C3_25 H3B_25 108.1 . . ?
C4_25 C3_25 C2_25 110.65(15) . . ?
C4_25 C3_25 H3A_25 109.5 . . ?
C4_25 C3_25 H3B_25 109.5 . . ?
C3_25 C4_25 H4A_25 109.6 . . ?
C3_25 C4_25 H4B_25 109.6 . . ?
H4A_25 C4_25 H4B_25 108.1 . . ?
C5_25 C4_25 C3_25 110.46(15) . . ?
C5_25 C4_25 H4A_25 109.6 . . ?
C5_25 C4_25 H4B_25 109.6 . . ?
N2_25 C5_25 C4_25 110.15(14) . . ?
N2_25 C5_25 H5A_25 109.6 . . ?
N2_25 C5_25 H5B_25 109.6 . . ?
C4_25 C5_25 H5A_25 109.6 . . ?
C4_25 C5_25 H5B_25 109.6 . . ?
H5A_25 C5_25 H5B_25 108.1 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Fe1 Fe2 2.6164(5) . ?
Fe1 N1 1.8724(17) . ?
Fe1 N5 1.9370(15) . ?
Fe1 N13 1.9551(16) . ?
Fe2 N5 1.9233(15) . ?
Fe2 N9 1.8545(16) . ?
Fe2 N13 1.9710(15) . ?
P1 N1 1.5435(18) . ?
P1 N2_1 1.6678(13) . ?
P1 N2_4 1.6814(13) . ?
P1 N2_5 1.6955(14) . ?
P3 N9 1.5267(17) . ?
P3 N2_8 1.6861(12) . ?
P3 N2_9 1.6733(13) . ?
P3 N2_10 1.6981(13) . ?
P4 N13 1.5534(16) . ?
P4 N2_2 1.6720(13) . ?
P4 N2_3 1.6604(13) . ?
P4 N2_22 1.6738(13) . ?
N5 P2 1.5820(14) . ?
Fe3 Fe4 2.6064(5) . ?
Fe3 N17 1.8554(18) . ?
Fe3 N21 1.9570(17) . ?
Fe3 N29 1.9706(17) . ?
Fe4 N21 1.9533(17) . ?
Fe4 N25 1.8581(19) . ?
Fe4 N29 1.9596(16) . ?
P5 N17 1.5268(18) . ?
P5 N2_11 1.6858(14) . ?
P5 N2_12 1.6867(13) . ?
P5 N2_14 1.6957(13) . ?
P7 N25 1.539(2) . ?
P7 N2_16 1.647(2) . ?
P7 N2_17 1.716(2) . ?
P7 N2_18 1.6867(13) . ?
P7 N2_19 1.6634(13) . ?
N21 P6 1.5517(17) . ?
N29 P8 1.5465(16) . ?
P2 N2_6 1.6547(13) . ?
P2 N2_7 1.6665(13) . ?
P2 N2_24 1.6571(13) . ?
P6 N2_15 1.6641(13) . ?
P6 N2_20 1.6617(13) . ?
P6 N2_25 1.6527(15) . ?
P8 N2_13 1.6703(12) . ?
P8 N2_21 1.6789(13) . ?
P8 N2_23 1.6827(13) . ?
N2_1 C1_1 1.4643(13) . ?
N2_1 C5_1 1.4655(13) . ?
C1_1 H1A_1 0.990(2) . ?
C1_1 H1B_1 0.990(2) . ?
C1_1 C2_1 1.5196(14) . ?
C2_1 H2A_1 0.990(2) . ?
C2_1 H2B_1 0.990(2) . ?
C2_1 C3_1 1.5260(14) . ?
C3_1 H3A_1 0.990(2) . ?
C3_1 H3B_1 0.990(2) . ?
C3_1 C4_1 1.5232(14) . ?
C4_1 H4A_1 0.990(2) . ?
C4_1 H4B_1 0.990(2) . ?
C4_1 C5_1 1.5205(14) . ?
C5_1 H5A_1 0.990(2) . ?
C5_1 H5B_1 0.990(2) . ?
N2_2 C1_2 1.4681(13) . ?
N2_2 C5_2 1.4689(13) . ?
C1_2 H1A_2 0.990(2) . ?
C1_2 H1B_2 0.990(2) . ?
C1_2 C2_2 1.5206(14) . ?
C2_2 H2A_2 0.990(2) . ?
C2_2 H2B_2 0.990(2) . ?
C2_2 C3_2 1.5262(14) . ?
C3_2 H3A_2 0.990(2) . ?
C3_2 H3B_2 0.990(2) . ?
C3_2 C4_2 1.5230(14) . ?
C4_2 H4A_2 0.990(2) . ?
C4_2 H4B_2 0.990(2) . ?
C4_2 C5_2 1.5196(14) . ?
C5_2 H5A_2 0.990(2) . ?
C5_2 H5B_2 0.990(2) . ?
N2_3 C1_3 1.4627(13) . ?
N2_3 C5_3 1.4665(13) . ?
C1_3 H1A_3 0.990(2) . ?
C1_3 H1B_3 0.990(2) . ?
C1_3 C2_3 1.5198(14) . ?
C2_3 H2A_3 0.990(2) . ?
C2_3 H2B_3 0.990(2) . ?
C2_3 C3_3 1.5262(14) . ?
C3_3 H3A_3 0.990(2) . ?
C3_3 H3B_3 0.990(2) . ?
C3_3 C4_3 1.5229(14) . ?
C4_3 H4A_3 0.990(2) . ?
C4_3 H4B_3 0.990(2) . ?
C4_3 C5_3 1.5231(14) . ?
C5_3 H5A_3 0.990(2) . ?
C5_3 H5B_3 0.990(2) . ?
N2_4 C1_4 1.4677(13) . ?
N2_4 C5_4 1.4701(13) . ?
C1_4 H1A_4 0.990(2) . ?
C1_4 H1B_4 0.990(2) . ?
C1_4 C2_4 1.5192(14) . ?
C2_4 H2A_4 0.990(2) . ?
C2_4 H2B_4 0.990(2) . ?
C2_4 C3_4 1.5262(14) . ?
C3_4 H3A_4 0.990(2) . ?
C3_4 H3B_4 0.990(2) . ?
C3_4 C4_4 1.5238(14) . ?
C4_4 H4A_4 0.990(2) . ?
C4_4 H4B_4 0.990(2) . ?
C4_4 C5_4 1.5219(14) . ?
C5_4 H5A_4 0.990(2) . ?
C5_4 H5B_4 0.990(2) . ?
N2_5 C1_5 1.4705(13) . ?
N2_5 C5_5 1.4716(13) . ?
C1_5 H1A_5 0.990(2) . ?
C1_5 H1B_5 0.990(2) . ?
C1_5 C2_5 1.5204(14) . ?
C2_5 H2A_5 0.990(2) . ?
C2_5 H2B_5 0.990(2) . ?
C2_5 C3_5 1.5272(15) . ?
C3_5 H3A_5 0.990(2) . ?
C3_5 H3B_5 0.990(2) . ?
C3_5 C4_5 1.5237(14) . ?
C4_5 H4A_5 0.990(2) . ?
C4_5 H4B_5 0.990(2) . ?
C4_5 C5_5 1.5217(14) . ?
C5_5 H5A_5 0.990(2) . ?
C5_5 H5B_5 0.990(2) . ?
N2_6 C1_6 1.4650(13) . ?
N2_6 C5_6 1.4640(13) . ?
C1_6 H1A_6 0.990(2) . ?
C1_6 H1B_6 0.990(2) . ?
C1_6 C2_6 1.5208(14) . ?
C2_6 H2A_6 0.990(2) . ?
C2_6 H2B_6 0.990(2) . ?
C2_6 C3_6 1.5266(14) . ?
C3_6 H3A_6 0.990(2) . ?
C3_6 H3B_6 0.990(2) . ?
C3_6 C4_6 1.5224(14) . ?
C4_6 H4A_6 0.990(2) . ?
C4_6 H4B_6 0.990(2) . ?
C4_6 C5_6 1.5208(14) . ?
C5_6 H5A_6 0.990(2) . ?
C5_6 H5B_6 0.990(2) . ?
N2_7 C1_7 1.4711(13) . ?
N2_7 C5_7 1.4697(13) . ?
C1_7 H1A_7 0.990(2) . ?
C1_7 H1B_7 0.990(2) . ?
C1_7 C2_7 1.5220(14) . ?
C2_7 H2A_7 0.990(2) . ?
C2_7 H2B_7 0.990(2) . ?
C2_7 C3_7 1.5271(14) . ?
C3_7 H3A_7 0.990(2) . ?
C3_7 H3B_7 0.990(2) . ?
C3_7 C4_7 1.5220(14) . ?
C4_7 H4A_7 0.990(2) . ?
C4_7 H4B_7 0.990(2) . ?
C4_7 C5_7 1.5222(14) . ?
C5_7 H5A_7 0.990(2) . ?
C5_7 H5B_7 0.990(2) . ?
N2_8 C1_8 1.4707(13) . ?
N2_8 C5_8 1.4719(13) . ?
C1_8 H1A_8 0.990(2) . ?
C1_8 H1B_8 0.990(2) . ?
C1_8 C2_8 1.5225(14) . ?
C2_8 H2A_8 0.990(2) . ?
C2_8 H2B_8 0.990(2) . ?
C2_8 C3_8 1.5271(14) . ?
C3_8 H3A_8 0.990(2) . ?
C3_8 H3B_8 0.990(2) . ?
C3_8 C4_8 1.5222(14) . ?
C4_8 H4A_8 0.990(2) . ?
C4_8 H4B_8 0.990(2) . ?
C4_8 C5_8 1.5210(14) . ?
C5_8 H5A_8 0.990(2) . ?
C5_8 H5B_8 0.990(2) . ?
N2_9 C1_9 1.4642(13) . ?
N2_9 C5_9 1.4652(13) . ?
C1_9 H1A_9 0.990(2) . ?
C1_9 H1B_9 0.990(2) . ?
C1_9 C2_9 1.5210(14) . ?
C2_9 H2A_9 0.990(2) . ?
C2_9 H2B_9 0.990(2) . ?
C2_9 C3_9 1.5269(14) . ?
C3_9 H3A_9 0.990(2) . ?
C3_9 H3B_9 0.990(2) . ?
C3_9 C4_9 1.5240(14) . ?
C4_9 H4A_9 0.990(2) . ?
C4_9 H4B_9 0.990(2) . ?
C4_9 C5_9 1.5214(14) . ?
C5_9 H5A_9 0.990(2) . ?
C5_9 H5B_9 0.990(2) . ?
N2_10 C1_10 1.4694(13) . ?
N2_10 C5_10 1.4712(13) . ?
C1_10 H1A_10 0.990(2) . ?
C1_10 H1B_10 0.990(2) . ?
C1_10 C2_10 1.5180(14) . ?
C2_10 H2A_10 0.990(2) . ?
C2_10 H2B_10 0.990(2) . ?
C2_10 C3_10 1.5269(14) . ?
C3_10 H3A_10 0.990(2) . ?
C3_10 H3B_10 0.990(2) . ?
C3_10 C4_10 1.5248(14) . ?
C4_10 H4A_10 0.990(2) . ?
C4_10 H4B_10 0.990(2) . ?
C4_10 C5_10 1.5216(14) . ?
C5_10 H5A_10 0.990(2) . ?
C5_10 H5B_10 0.990(2) . ?
N2_11 C1_11 1.4700(13) . ?
N2_11 C5_11 1.4716(13) . ?
C1_11 H1A_11 0.993(2) . ?
C1_11 H1B_11 0.993(2) . ?
C1_11 C2_11 1.5195(14) . ?
C2_11 H2A_11 0.994(2) . ?
C2_11 H2B_11 0.994(3) . ?
C2_11 C3_11 1.5253(14) . ?
C3_11 H3A_11 0.993(2) . ?
C3_11 H3B_11 0.993(2) . ?
C3_11 C4_11 1.5239(15) . ?
C4_11 H4A_11 0.994(3) . ?
C4_11 H4B_11 0.994(2) . ?
C4_11 C5_11 1.5231(14) . ?
C5_11 H5A_11 0.994(2) . ?
C5_11 H5B_11 0.994(2) . ?
N2_12 C1_12 1.4676(13) . ?
N2_12 C5_12 1.4664(14) . ?
C1_12 H1A_12 0.994(2) . ?
C1_12 H1B_12 0.994(2) . ?
C1_12 C2_12 1.5172(14) . ?
C2_12 H2A_12 0.994(2) . ?
C2_12 H2B_12 0.994(2) . ?
C2_12 C3_12 1.5284(15) . ?
C3_12 H3A_12 0.994(2) . ?
C3_12 H3B_12 0.994(2) . ?
C3_12 C4_12 1.5212(15) . ?
C4_12 H4A_12 0.994(2) . ?
C4_12 H4B_12 0.994(3) . ?
C4_12 C5_12 1.5166(14) . ?
C5_12 H5A_12 0.994(2) . ?
C5_12 H5B_12 0.994(2) . ?
N2_13 C1_13 1.4729(13) . ?
N2_13 C5_13 1.4724(13) . ?
C1_13 H1A_13 0.993(2) . ?
C1_13 H1B_13 0.993(2) . ?
C1_13 C2_13 1.5210(13) . ?
C2_13 H2A_13 0.993(3) . ?
C2_13 H2B_13 0.994(2) . ?
C2_13 C3_13 1.5265(14) . ?
C3_13 H3A_13 0.993(2) . ?
C3_13 H3B_13 0.993(2) . ?
C3_13 C4_13 1.5239(14) . ?
C4_13 H4A_13 0.993(2) . ?
C4_13 H4B_13 0.993(2) . ?
C4_13 C5_13 1.5230(14) . ?
C5_13 H5A_13 0.993(2) . ?
C5_13 H5B_13 0.993(2) . ?
N2_14 C1_14 1.4697(13) . ?
N2_14 C5_14 1.4692(13) . ?
C1_14 H1A_14 0.994(2) . ?
C1_14 H1B_14 0.994(2) . ?
C1_14 C2_14 1.5211(14) . ?
C2_14 H2A_14 0.994(3) . ?
C2_14 H2B_14 0.994(2) . ?
C2_14 C3_14 1.5287(14) . ?
C3_14 H3A_14 0.993(2) . ?
C3_14 H3B_14 0.993(2) . ?
C3_14 C4_14 1.5234(14) . ?
C4_14 H4A_14 0.994(2) . ?
C4_14 H4B_14 0.994(2) . ?
C4_14 C5_14 1.5189(14) . ?
C5_14 H5A_14 0.994(3) . ?
C5_14 H5B_14 0.994(2) . ?
N2_15 C1_15 1.4701(13) . ?
N2_15 C5_15 1.4715(13) . ?
C1_15 H1A_15 0.994(2) . ?
C1_15 H1B_15 0.994(2) . ?
C1_15 C2_15 1.5204(14) . ?
C2_15 H2A_15 0.993(2) . ?
C2_15 H2B_15 0.993(2) . ?
C2_15 C3_15 1.5252(14) . ?
C3_15 H3A_15 0.994(2) . ?
C3_15 H3B_15 0.994(2) . ?
C3_15 C4_15 1.5241(14) . ?
C4_15 H4A_15 0.993(2) . ?
C4_15 H4B_15 0.993(3) . ?
C4_15 C5_15 1.5224(14) . ?
C5_15 H5A_15 0.993(2) . ?
C5_15 H5B_15 0.993(2) . ?
N2_16 C1_16 1.4744(15) . ?
N2_16 C5_16 1.4759(15) . ?
C1_16 H1A_16 0.993(2) . ?
C1_16 H1B_16 0.993(2) . ?
C1_16 C2_16 1.5232(15) . ?
C2_16 H2A_16 0.994(2) . ?
C2_16 H2B_16 0.994(2) . ?
C2_16 C3_16 1.5271(15) . ?
C3_16 H3A_16 0.994(3) . ?
C3_16 H3B_16 0.994(2) . ?
C3_16 C4_16 1.5231(16) . ?
C4_16 H4A_16 0.994(2) . ?
C4_16 H4B_16 0.994(2) . ?
C4_16 C5_16 1.5239(15) . ?
C5_16 H5A_16 0.994(2) . ?
C5_16 H5B_16 0.994(2) . ?
N2_17 C1_17 1.4762(15) . ?
N2_17 C5_17 1.4764(15) . ?
C1_17 H1A_17 0.993(2) . ?
C1_17 H1B_17 0.993(2) . ?
C1_17 C2_17 1.5203(15) . ?
C2_17 H2A_17 0.994(3) . ?
C2_17 H2B_17 0.994(2) . ?
C2_17 C3_17 1.5280(15) . ?
C3_17 H3A_17 0.993(3) . ?
C3_17 H3B_17 0.993(2) . ?
C3_17 C4_17 1.5242(15) . ?
C4_17 H4A_17 0.993(2) . ?
C4_17 H4B_17 0.993(2) . ?
C4_17 C5_17 1.5218(15) . ?
C5_17 H5A_17 0.994(2) . ?
C5_17 H5B_17 0.994(2) . ?
N2_18 C1_18 1.4693(13) . ?
N2_18 C5_18 1.4702(13) . ?
C1_18 H1A_18 0.994(2) . ?
C1_18 H1B_18 0.994(3) . ?
C1_18 C2_18 1.5212(14) . ?
C2_18 H2A_18 0.993(2) . ?
C2_18 H2B_18 0.993(3) . ?
C2_18 C3_18 1.5273(14) . ?
C3_18 H3A_18 0.994(2) . ?
C3_18 H3B_18 0.994(2) . ?
C3_18 C4_18 1.5233(14) . ?
C4_18 H4A_18 0.993(3) . ?
C4_18 H4B_18 0.993(3) . ?
C4_18 C5_18 1.5203(14) . ?
C5_18 H5A_18 0.994(2) . ?
C5_18 H5B_18 0.994(2) . ?
N2_19 C1_19 1.4628(13) . ?
N2_19 C5_19 1.4651(13) . ?
C1_19 H1A_19 0.994(3) . ?
C1_19 H1B_19 0.994(2) . ?
C1_19 C2_19 1.5183(14) . ?
C2_19 H2A_19 0.993(2) . ?
C2_19 H2B_19 0.993(2) . ?
C2_19 C3_19 1.5270(14) . ?
C3_19 H3A_19 0.994(2) . ?
C3_19 H3B_19 0.994(2) . ?
C3_19 C4_19 1.5244(15) . ?
C4_19 H4A_19 0.993(2) . ?
C4_19 H4B_19 0.993(2) . ?
C4_19 C5_19 1.5209(14) . ?
C5_19 H5A_19 0.994(2) . ?
C5_19 H5B_19 0.994(2) . ?
N2_20 C1_20 1.4667(13) . ?
N2_20 C5_20 1.4656(13) . ?
C1_20 H1A_20 0.994(3) . ?
C1_20 H1B_20 0.994(2) . ?
C1_20 C2_20 1.5200(14) . ?
C2_20 H2A_20 0.994(2) . ?
C2_20 H2B_20 0.994(3) . ?
C2_20 C3_20 1.5255(14) . ?
C3_20 H3A_20 0.993(3) . ?
C3_20 H3B_20 0.993(3) . ?
C3_20 C4_20 1.5238(15) . ?
C4_20 H4A_20 0.994(3) . ?
C4_20 H4B_20 0.994(2) . ?
C4_20 C5_20 1.5220(15) . ?
C5_20 H5A_20 0.994(2) . ?
C5_20 H5B_20 0.994(3) . ?
N2_21 C1_21 1.4689(13) . ?
N2_21 C5_21 1.4694(13) . ?
C1_21 H1A_21 0.994(2) . ?
C1_21 H1B_21 0.994(2) . ?
C1_21 C2_21 1.5199(14) . ?
C2_21 H2A_21 0.994(2) . ?
C2_21 H2B_21 0.994(2) . ?
C2_21 C3_21 1.5269(14) . ?
C3_21 H3A_21 0.994(2) . ?
C3_21 H3B_21 0.994(2) . ?
C3_21 C4_21 1.5241(14) . ?
C4_21 H4A_21 0.993(2) . ?
C4_21 H4B_21 0.993(2) . ?
C4_21 C5_21 1.5231(14) . ?
C5_21 H5A_21 0.994(2) . ?
C5_21 H5B_21 0.994(2) . ?
N2_22 C1_22 1.4717(13) . ?
N2_22 C5_22 1.4725(13) . ?
C1_22 H1A_22 0.990(2) . ?
C1_22 H1B_22 0.990(2) . ?
C1_22 C2_22 1.5206(14) . ?
C2_22 H2A_22 0.990(2) . ?
C2_22 H2B_22 0.990(2) . ?
C2_22 C3_22 1.5272(14) . ?
C3_22 H3A_22 0.990(2) . ?
C3_22 H3B_22 0.990(2) . ?
C3_22 C4_22 1.5231(14) . ?
C4_22 H4A_22 0.990(2) . ?
C4_22 H4B_22 0.990(2) . ?
C4_22 C5_22 1.5226(13) . ?
C5_22 H5A_22 0.990(2) . ?
C5_22 H5B_22 0.990(2) . ?
N2_23 C1_23 1.4701(13) . ?
N2_23 C5_23 1.4715(13) . ?
C1_23 H1A_23 0.993(2) . ?
C1_23 H1B_23 0.993(2) . ?
C1_23 C2_23 1.5223(13) . ?
C2_23 H2A_23 0.993(2) . ?
C2_23 H2B_23 0.993(3) . ?
C2_23 C3_23 1.5282(14) . ?
C3_23 H3A_23 0.993(2) . ?
C3_23 H3B_23 0.993(2) . ?
C3_23 C4_23 1.5238(14) . ?
C4_23 H4A_23 0.993(3) . ?
C4_23 H4B_23 0.993(2) . ?
C4_23 C5_23 1.5217(14) . ?
C5_23 H5A_23 0.993(2) . ?
C5_23 H5B_23 0.993(2) . ?
N2_24 C1_24 1.4643(13) . ?
N2_24 C5_24 1.4666(13) . ?
C1_24 H1A_24 0.990(2) . ?
C1_24 H1B_24 0.990(2) . ?
C1_24 C2_24 1.5220(14) . ?
C2_24 H2A_24 0.990(2) . ?
C2_24 H2B_24 0.990(2) . ?
C2_24 C3_24 1.5273(14) . ?
C3_24 H3A_24 0.990(2) . ?
C3_24 H3B_24 0.990(2) . ?
C3_24 C4_24 1.5223(14) . ?
C4_24 H4A_24 0.990(2) . ?
C4_24 H4B_24 0.990(2) . ?
C4_24 C5_24 1.5220(14) . ?
C5_24 H5A_24 0.990(2) . ?
C5_24 H5B_24 0.990(2) . ?
N2_25 C1_25 1.4617(13) . ?
N2_25 C5_25 1.4669(13) . ?
C1_25 H1A_25 0.994(2) . ?
C1_25 H1B_25 0.994(2) . ?
C1_25 C2_25 1.5179(14) . ?
C2_25 H2A_25 0.994(2) . ?
C2_25 H2B_25 0.994(2) . ?
C2_25 C3_25 1.5262(15) . ?
C3_25 H3A_25 0.994(2) . ?
C3_25 H3B_25 0.994(2) . ?
C3_25 C4_25 1.5216(15) . ?
C4_25 H4A_25 0.993(2) . ?
C4_25 H4B_25 0.993(2) . ?
C4_25 C5_25 1.5210(15) . ?
C5_25 H5A_25 0.993(2) . ?
C5_25 H5B_25 0.993(2) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Fe1 Fe2 N9 P3 -13.4(5) . . . . ?
Fe1 N5 P2 N2_6 -29.91(17) . . . . ?
Fe1 N5 P2 N2_7 -151.89(12) . . . . ?
Fe1 N5 P2 N2_24 92.23(15) . . . . ?
Fe2 Fe1 N1 P1 2.6(4) . . . . ?
Fe2 N5 P2 N2_6 114.56(14) . . . . ?
Fe2 N5 P2 N2_7 -7.43(17) . . . . ?
Fe2 N5 P2 N2_24 -123.31(13) . . . . ?
P1 N2_1 C1_1 C2_1 -129.00(15) . . . . ?
P1 N2_1 C5_1 C4_1 129.22(16) . . . . ?
P1 N2_4 C1_4 C2_4 -158.04(13) . . . . ?
P1 N2_4 C5_4 C4_4 159.83(13) . . . . ?
P1 N2_5 C1_5 C2_5 -169.73(14) . . . . ?
P1 N2_5 C5_5 C4_5 170.96(13) . . . . ?
P3 N2_8 C1_8 C2_8 -159.79(12) . . . . ?
P3 N2_8 C5_8 C4_8 162.81(12) . . . . ?
P3 N2_9 C1_9 C2_9 -123.70(15) . . . . ?
P3 N2_9 C5_9 C4_9 124.10(15) . . . . ?
P3 N2_10 C1_10 C2_10 -161.35(13) . . . . ?
P3 N2_10 C5_10 C4_10 162.49(12) . . . . ?
P4 N2_2 C1_2 C2_2 -147.99(14) . . . . ?
P4 N2_2 C5_2 C4_2 146.45(13) . . . . ?
P4 N2_3 C1_3 C2_3 -121.09(15) . . . . ?
P4 N2_3 C5_3 C4_3 119.02(15) . . . . ?
P4 N2_22 C1_22 C2_22 -159.35(12) . . . . ?
P4 N2_22 C5_22 C4_22 159.97(12) . . . . ?
N1 P1 N2_1 C1_1 -2.85(19) . . . . ?
N1 P1 N2_1 C5_1 169.17(16) . . . . ?
N1 P1 N2_4 C1_4 43.11(16) . . . . ?
N1 P1 N2_4 C5_4 -177.93(14) . . . . ?
N1 P1 N2_5 C1_5 -62.23(16) . . . . ?
N1 P1 N2_5 C5_5 65.27(15) . . . . ?
N5 Fe1 N1 P1 -86.25(15) . . . . ?
N5 Fe2 N9 P3 85.0(2) . . . . ?
N5 P2 N2_6 C1_6 160.05(15) . . . . ?
N5 P2 N2_6 C5_6 -22.7(2) . . . . ?
N5 P2 N2_7 C1_7 -56.03(16) . . . . ?
N5 P2 N2_7 C5_7 85.47(16) . . . . ?
N5 P2 N2_24 C1_24 153.12(15) . . . . ?
N5 P2 N2_24 C5_24 -41.64(17) . . . . ?
N9 P3 N2_8 C1_8 -73.91(15) . . . . ?
N9 P3 N2_8 C5_8 60.21(15) . . . . ?
N9 P3 N2_9 C1_9 -8.14(18) . . . . ?
N9 P3 N2_9 C5_9 169.96(14) . . . . ?
N9 P3 N2_10 C1_10 53.59(16) . . . . ?
N9 P3 N2_10 C5_10 -169.52(14) . . . . ?
N13 Fe1 N1 P1 87.62(14) . . . . ?
N13 Fe2 N9 P3 -88.3(2) . . . . ?
N13 P4 N2_2 C1_2 161.84(15) . . . . ?
N13 P4 N2_2 C5_2 -48.68(16) . . . . ?
N13 P4 N2_3 C1_3 176.71(14) . . . . ?
N13 P4 N2_3 C5_3 -1.51(17) . . . . ?
N13 P4 N2_22 C1_22 -60.42(15) . . . . ?
N13 P4 N2_22 C5_22 75.41(14) . . . . ?
Fe3 Fe4 N25 P7 -8.8(4) . . . . ?
Fe3 N21 P6 N2_15 13.16(19) . . . . ?
Fe3 N21 P6 N2_20 129.12(14) . . . . ?
Fe3 N21 P6 N2_25 -108.06(15) . . . . ?
Fe3 N29 P8 N2_13 8.60(17) . . . . ?
Fe3 N29 P8 N2_21 125.43(13) . . . . ?
Fe3 N29 P8 N2_23 -109.37(13) . . . . ?
Fe4 Fe3 N17 P5 6.2(4) . . . . ?
Fe4 N21 P6 N2_15 148.37(13) . . . . ?
Fe4 N21 P6 N2_20 -95.68(16) . . . . ?
Fe4 N21 P6 N2_25 27.15(19) . . . . ?
Fe4 N29 P8 N2_13 -156.63(16) . . . . ?
Fe4 N29 P8 N2_21 -39.8(2) . . . . ?
Fe4 N29 P8 N2_23 85.4(2) . . . . ?
P5 N2_11 C1_11 C2_11 -163.00(14) . . . . ?
P5 N2_11 C5_11 C4_11 160.47(14) . . . . ?
P5 N2_12 C1_12 C2_12 -146.37(15) . . . . ?
P5 N2_12 C5_12 C4_12 148.97(17) . . . . ?
P5 N2_14 C1_14 C2_14 -160.08(14) . . . . ?
P5 N2_14 C5_14 C4_14 159.29(14) . . . . ?
P7 N2_16 C1_16 C2_16 -172.1(3) . . . . ?
P7 N2_16 C5_16 C4_16 170.0(3) . . . . ?
P7 N2_17 C1_17 C2_17 -107.0(3) . . . . ?
P7 N2_17 C5_17 C4_17 106.8(3) . . . . ?
P7 N2_18 C1_18 C2_18 -159.47(13) . . . . ?
P7 N2_18 C5_18 C4_18 157.08(14) . . . . ?
P7 N2_19 C1_19 C2_19 -133.85(16) . . . . ?
P7 N2_19 C5_19 C4_19 132.97(16) . . . . ?
N17 P5 N2_11 C1_11 -56.47(16) . . . . ?
N17 P5 N2_11 C5_11 77.21(16) . . . . ?
N17 P5 N2_12 C1_12 20.17(19) . . . . ?
N17 P5 N2_12 C5_12 173.26(17) . . . . ?
N17 P5 N2_14 C1_14 166.10(16) . . . . ?
N17 P5 N2_14 C5_14 -54.41(17) . . . . ?
N21 Fe3 N17 P5 -79.0(3) . . . . ?
N21 Fe4 N25 P7 77.0(2) . . . . ?
N21 P6 N2_15 C1_15 -80.11(16) . . . . ?
N21 P6 N2_15 C5_15 58.37(16) . . . . ?
N21 P6 N2_20 C1_20 42.85(18) . . . . ?
N21 P6 N2_20 C5_20 -155.53(17) . . . . ?
N21 P6 N2_25 C1_25 15.3(2) . . . . ?
N21 P6 N2_25 C5_25 -162.21(17) . . . . ?
N25 P7 N2_16 C1_16 -64.4(3) . . . . ?
N25 P7 N2_16 C5_16 57.7(3) . . . . ?
N25 P7 N2_17 C1_17 79.3(3) . . . . ?
N25 P7 N2_17 C5_17 -86.9(3) . . . . ?
N25 P7 N2_18 C1_18 -179.35(15) . . . . ?
N25 P7 N2_18 C5_18 -39.95(18) . . . . ?
N25 P7 N2_19 C1_19 -171.00(17) . . . . ?
N25 P7 N2_19 C5_19 -4.1(2) . . . . ?
N29 Fe3 N17 P5 89.1(2) . . . . ?
N29 Fe4 N25 P7 -99.30(17) . . . . ?
N29 P8 N2_13 C1_13 -70.50(15) . . . . ?
N29 P8 N2_13 C5_13 65.98(15) . . . . ?
N29 P8 N2_21 C1_21 33.54(17) . . . . ?
N29 P8 N2_21 C5_21 -175.67(14) . . . . ?
N29 P8 N2_23 C1_23 173.34(14) . . . . ?
N29 P8 N2_23 C5_23 -46.62(15) . . . . ?
P2 N2_6 C1_6 C2_6 -121.55(17) . . . . ?
P2 N2_6 C5_6 C4_6 122.70(17) . . . . ?
P2 N2_7 C1_7 C2_7 -153.07(13) . . . . ?
P2 N2_7 C5_7 C4_7 155.25(13) . . . . ?
P2 N2_24 C1_24 C2_24 -133.87(15) . . . . ?
P2 N2_24 C5_24 C4_24 133.79(14) . . . . ?
P6 N2_15 C1_15 C2_15 -157.54(13) . . . . ?
P6 N2_15 C5_15 C4_15 154.58(12) . . . . ?
P6 N2_20 C1_20 C2_20 -136.94(15) . . . . ?
P6 N2_20 C5_20 C4_20 136.92(16) . . . . ?
P6 N2_25 C1_25 C2_25 -117.53(19) . . . . ?
P6 N2_25 C5_25 C4_25 117.09(19) . . . . ?
P8 N2_13 C1_13 C2_13 -159.38(12) . . . . ?
P8 N2_13 C5_13 C4_13 157.78(12) . . . . ?
P8 N2_21 C1_21 C2_21 -147.67(14) . . . . ?
P8 N2_21 C5_21 C4_21 147.08(14) . . . . ?
P8 N2_23 C1_23 C2_23 -157.73(12) . . . . ?
P8 N2_23 C5_23 C4_23 156.09(13) . . . . ?
N2_1 P1 N1 Fe1 -126.30(12) . . . . ?
N2_1 P1 N2_4 C1_4 -81.05(14) . . . . ?
N2_1 P1 N2_4 C5_4 57.92(16) . . . . ?
N2_1 P1 N2_5 C1_5 62.86(14) . . . . ?
N2_1 P1 N2_5 C5_5 -169.64(13) . . . . ?
N2_1 C1_1 C2_1 C3_1 -55.3(2) . . . . ?
C1_1 N2_1 C5_1 C4_1 -58.1(2) . . . . ?
C1_1 C2_1 C3_1 C4_1 53.6(2) . . . . ?
C2_1 C3_1 C4_1 C5_1 -53.6(2) . . . . ?
C3_1 C4_1 C5_1 N2_1 55.3(2) . . . . ?
C5_1 N2_1 C1_1 C2_1 58.1(2) . . . . ?
N2_2 P4 N13 Fe1 10.38(18) . . . . ?
N2_2 P4 N13 Fe2 -121.43(12) . . . . ?
N2_2 P4 N2_3 C1_3 51.38(16) . . . . ?
N2_2 P4 N2_3 C5_3 -126.84(14) . . . . ?
N2_2 P4 N2_22 C1_22 63.22(14) . . . . ?
N2_2 P4 N2_22 C5_22 -160.95(13) . . . . ?
N2_2 C1_2 C2_2 C3_2 -57.2(2) . . . . ?
C1_2 N2_2 C5_2 C4_2 -60.07(19) . . . . ?
C1_2 C2_2 C3_2 C4_2 53.0(2) . . . . ?
C2_2 C3_2 C4_2 C5_2 -52.5(2) . . . . ?
C3_2 C4_2 C5_2 N2_2 55.8(2) . . . . ?
C5_2 N2_2 C1_2 C2_2 60.94(19) . . . . ?
N2_3 P4 N13 Fe1 -112.91(15) . . . . ?
N2_3 P4 N13 Fe2 115.28(12) . . . . ?
N2_3 P4 N2_2 C1_2 -74.73(16) . . . . ?
N2_3 P4 N2_2 C5_2 74.75(14) . . . . ?
N2_3 P4 N2_22 C1_22 177.08(12) . . . . ?
N2_3 P4 N2_22 C5_22 -47.09(14) . . . . ?
N2_3 C1_3 C2_3 C3_3 -53.5(2) . . . . ?
C1_3 N2_3 C5_3 C4_3 -59.37(19) . . . . ?
C1_3 C2_3 C3_3 C4_3 52.8(2) . . . . ?
C2_3 C3_3 C4_3 C5_3 -54.7(2) . . . . ?
C3_3 C4_3 C5_3 N2_3 57.4(2) . . . . ?
C5_3 N2_3 C1_3 C2_3 57.3(2) . . . . ?
N2_4 P1 N1 Fe1 111.77(12) . . . . ?
N2_4 P1 N2_1 C1_1 121.22(15) . . . . ?
N2_4 P1 N2_1 C5_1 -66.75(18) . . . . ?
N2_4 P1 N2_5 C1_5 173.82(13) . . . . ?
N2_4 P1 N2_5 C5_5 -58.68(14) . . . . ?
N2_4 C1_4 C2_4 C3_4 -55.5(2) . . . . ?
C1_4 N2_4 C5_4 C4_4 -60.32(19) . . . . ?
C1_4 C2_4 C3_4 C4_4 54.0(2) . . . . ?
C2_4 C3_4 C4_4 C5_4 -55.1(2) . . . . ?
C3_4 C4_4 C5_4 N2_4 57.9(2) . . . . ?
C5_4 N2_4 C1_4 C2_4 59.0(2) . . . . ?
N2_5 P1 N1 Fe1 -6.42(16) . . . . ?
N2_5 P1 N2_1 C1_1 -134.32(15) . . . . ?
N2_5 P1 N2_1 C5_1 37.71(18) . . . . ?
N2_5 P1 N2_4 C1_4 173.73(13) . . . . ?
N2_5 P1 N2_4 C5_4 -47.31(16) . . . . ?
N2_5 C1_5 C2_5 C3_5 -57.2(2) . . . . ?
C1_5 N2_5 C5_5 C4_5 -60.50(19) . . . . ?
C1_5 C2_5 C3_5 C4_5 53.8(2) . . . . ?
C2_5 C3_5 C4_5 C5_5 -54.1(2) . . . . ?
C3_5 C4_5 C5_5 N2_5 58.0(2) . . . . ?
C5_5 N2_5 C1_5 C2_5 60.1(2) . . . . ?
N2_6 P2 N2_7 C1_7 178.91(13) . . . . ?
N2_6 P2 N2_7 C5_7 -39.59(16) . . . . ?
N2_6 P2 N2_24 C1_24 -82.93(17) . . . . ?
N2_6 P2 N2_24 C5_24 82.31(15) . . . . ?
N2_6 C1_6 C2_6 C3_6 -57.5(2) . . . . ?
C1_6 N2_6 C5_6 C4_6 -59.8(2) . . . . ?
C1_6 C2_6 C3_6 C4_6 54.5(3) . . . . ?
C2_6 C3_6 C4_6 C5_6 -53.4(3) . . . . ?
C3_6 C4_6 C5_6 N2_6 55.5(2) . . . . ?
C5_6 N2_6 C1_6 C2_6 60.8(2) . . . . ?
N2_7 P2 N2_6 C1_6 -71.49(17) . . . . ?
N2_7 P2 N2_6 C5_6 105.79(17) . . . . ?
N2_7 P2 N2_24 C1_24 27.60(17) . . . . ?
N2_7 P2 N2_24 C5_24 -167.16(14) . . . . ?
N2_7 C1_7 C2_7 C3_7 -56.8(2) . . . . ?
C1_7 N2_7 C5_7 C4_7 -61.26(19) . . . . ?
C1_7 C2_7 C3_7 C4_7 52.5(2) . . . . ?
C2_7 C3_7 C4_7 C5_7 -52.2(2) . . . . ?
C3_7 C4_7 C5_7 N2_7 55.9(2) . . . . ?
C5_7 N2_7 C1_7 C2_7 62.02(19) . . . . ?
N2_8 P3 N9 Fe2 177.43(19) . . . . ?
N2_8 P3 N2_9 C1_9 -136.09(14) . . . . ?
N2_8 P3 N2_9 C5_9 42.02(16) . . . . ?
N2_8 P3 N2_10 C1_10 -179.81(13) . . . . ?
N2_8 P3 N2_10 C5_10 -42.91(15) . . . . ?
N2_8 C1_8 C2_8 C3_8 -59.86(19) . . . . ?
C1_8 N2_8 C5_8 C4_8 -60.28(18) . . . . ?
C1_8 C2_8 C3_8 C4_8 53.9(2) . . . . ?
C2_8 C3_8 C4_8 C5_8 -51.5(2) . . . . ?
C3_8 C4_8 C5_8 N2_8 54.8(2) . . . . ?
C5_8 N2_8 C1_8 C2_8 62.98(18) . . . . ?
N2_9 P3 N9 Fe2 58.3(2) . . . . ?
N2_9 P3 N2_8 C1_8 51.60(14) . . . . ?
N2_9 P3 N2_8 C5_8 -174.28(13) . . . . ?
N2_9 P3 N2_10 C1_10 -74.04(14) . . . . ?
N2_9 P3 N2_10 C5_10 62.86(15) . . . . ?
N2_9 C1_9 C2_9 C3_9 -55.9(2) . . . . ?
C1_9 N2_9 C5_9 C4_9 -57.6(2) . . . . ?
C1_9 C2_9 C3_9 C4_9 53.6(2) . . . . ?
C2_9 C3_9 C4_9 C5_9 -52.8(2) . . . . ?
C3_9 C4_9 C5_9 N2_9 54.8(2) . . . . ?
C5_9 N2_9 C1_9 C2_9 58.0(2) . . . . ?
N2_10 P3 N9 Fe2 -66.0(2) . . . . ?
N2_10 P3 N2_8 C1_8 162.11(13) . . . . ?
N2_10 P3 N2_8 C5_8 -63.76(14) . . . . ?
N2_10 P3 N2_9 C1_9 119.42(14) . . . . ?
N2_10 P3 N2_9 C5_9 -62.47(16) . . . . ?
N2_10 C1_10 C2_10 C3_10 -54.6(2) . . . . ?
C1_10 N2_10 C5_10 C4_10 -59.66(19) . . . . ?
C1_10 C2_10 C3_10 C4_10 53.6(2) . . . . ?
C2_10 C3_10 C4_10 C5_10 -56.0(2) . . . . ?
C3_10 C4_10 C5_10 N2_10 59.63(19) . . . . ?
C5_10 N2_10 C1_10 C2_10 57.1(2) . . . . ?
N2_11 P5 N17 Fe3 -172.1(2) . . . . ?
N2_11 P5 N2_12 C1_12 147.53(15) . . . . ?
N2_11 P5 N2_12 C5_12 -59.38(19) . . . . ?
N2_11 P5 N2_14 C1_14 39.56(17) . . . . ?
N2_11 P5 N2_14 C5_14 179.05(14) . . . . ?
N2_11 C1_11 C2_11 C3_11 -54.6(2) . . . . ?
C1_11 N2_11 C5_11 C4_11 -63.3(2) . . . . ?
C1_11 C2_11 C3_11 C4_11 51.7(3) . . . . ?
C2_11 C3_11 C4_11 C5_11 -54.0(2) . . . . ?
C3_11 C4_11 C5_11 N2_11 60.2(2) . . . . ?
C5_11 N2_11 C1_11 C2_11 60.1(2) . . . . ?
N2_12 P5 N17 Fe3 -53.9(3) . . . . ?
N2_12 P5 N2_11 C1_11 178.68(14) . . . . ?
N2_12 P5 N2_11 C5_11 -47.64(16) . . . . ?
N2_12 P5 N2_14 C1_14 -65.79(17) . . . . ?
N2_12 P5 N2_14 C5_14 73.70(15) . . . . ?
N2_12 C1_12 C2_12 C3_12 -57.6(2) . . . . ?
C1_12 N2_12 C5_12 C4_12 -56.0(2) . . . . ?
C1_12 C2_12 C3_12 C4_12 55.1(3) . . . . ?
C2_12 C3_12 C4_12 C5_12 -53.5(3) . . . . ?
C3_12 C4_12 C5_12 N2_12 54.0(3) . . . . ?
C5_12 N2_12 C1_12 C2_12 57.9(2) . . . . ?
N2_13 P8 N2_21 C1_21 160.43(14) . . . . ?
N2_13 P8 N2_21 C5_21 -48.78(16) . . . . ?
N2_13 P8 N2_23 C1_23 46.15(15) . . . . ?
N2_13 P8 N2_23 C5_23 -173.81(12) . . . . ?
N2_13 C1_13 C2_13 C3_13 -56.38(19) . . . . ?
C1_13 N2_13 C5_13 C4_13 -62.43(18) . . . . ?
C1_13 C2_13 C3_13 C4_13 52.1(2) . . . . ?
C2_13 C3_13 C4_13 C5_13 -52.2(2) . . . . ?
C3_13 C4_13 C5_13 N2_13 57.26(19) . . . . ?
C5_13 N2_13 C1_13 C2_13 61.72(17) . . . . ?
N2_14 P5 N17 Fe3 71.3(2) . . . . ?
N2_14 P5 N2_11 C1_11 67.46(15) . . . . ?
N2_14 P5 N2_11 C5_11 -158.86(14) . . . . ?
N2_14 P5 N2_12 C1_12 -107.94(16) . . . . ?
N2_14 P5 N2_12 C5_12 45.15(19) . . . . ?
N2_14 C1_14 C2_14 C3_14 -59.6(2) . . . . ?
C1_14 N2_14 C5_14 C4_14 -56.8(2) . . . . ?
C1_14 C2_14 C3_14 C4_14 56.3(2) . . . . ?
C2_14 C3_14 C4_14 C5_14 -53.4(2) . . . . ?
C3_14 C4_14 C5_14 N2_14 54.0(2) . . . . ?
C5_14 N2_14 C1_14 C2_14 59.4(2) . . . . ?
N2_15 P6 N2_20 C1_20 168.24(14) . . . . ?
N2_15 P6 N2_20 C5_20 -30.14(18) . . . . ?
N2_15 P6 N2_25 C1_25 -112.76(18) . . . . ?
N2_15 P6 N2_25 C5_25 69.76(19) . . . . ?
N2_15 C1_15 C2_15 C3_15 -55.4(2) . . . . ?
C1_15 N2_15 C5_15 C4_15 -63.34(18) . . . . ?
C1_15 C2_15 C3_15 C4_15 51.5(2) . . . . ?
C2_15 C3_15 C4_15 C5_15 -52.6(2) . . . . ?
C3_15 C4_15 C5_15 N2_15 57.8(2) . . . . ?
C5_15 N2_15 C1_15 C2_15 62.01(19) . . . . ?
N2_16 P7 N25 Fe4 7.9(2) . . . . ?
N2_16 P7 N2_18 C1_18 50.6(2) . . . . ?
N2_16 P7 N2_18 C5_18 -169.97(19) . . . . ?
N2_16 P7 N2_19 C1_19 -40.6(2) . . . . ?
N2_16 P7 N2_19 C5_19 126.2(2) . . . . ?
N2_16 C1_16 C2_16 C3_16 -58.9(3) . . . . ?
C1_16 N2_16 C5_16 C4_16 -65.7(3) . . . . ?
C1_16 C2_16 C3_16 C4_16 52.6(4) . . . . ?
C2_16 C3_16 C4_16 C5_16 -52.2(3) . . . . ?
C3_16 C4_16 C5_16 N2_16 58.4(3) . . . . ?
C5_16 N2_16 C1_16 C2_16 65.9(3) . . . . ?
N2_17 P7 N25 Fe4 7.9(2) . . . . ?
N2_17 P7 N2_18 C1_18 48.3(2) . . . . ?
N2_17 P7 N2_18 C5_18 -172.33(19) . . . . ?
N2_17 P7 N2_19 C1_19 -38.2(2) . . . . ?
N2_17 P7 N2_19 C5_19 128.64(19) . . . . ?
N2_17 C1_17 C2_17 C3_17 -58.4(3) . . . . ?
C1_17 N2_17 C5_17 C4_17 -61.0(4) . . . . ?
C1_17 C2_17 C3_17 C4_17 54.4(3) . . . . ?
C2_17 C3_17 C4_17 C5_17 -54.4(3) . . . . ?
C3_17 C4_17 C5_17 N2_17 58.4(3) . . . . ?
C5_17 N2_17 C1_17 C2_17 61.2(3) . . . . ?
N2_18 P7 N25 Fe4 -110.95(16) . . . . ?
N2_18 P7 N2_16 C1_16 59.6(3) . . . . ?
N2_18 P7 N2_16 C5_16 -178.2(2) . . . . ?
N2_18 P7 N2_17 C1_17 -156.3(3) . . . . ?
N2_18 P7 N2_17 C5_17 37.5(3) . . . . ?
N2_18 P7 N2_19 C1_19 65.77(18) . . . . ?
N2_18 P7 N2_19 C5_19 -127.36(15) . . . . ?
N2_18 C1_18 C2_18 C3_18 -57.6(2) . . . . ?
C1_18 N2_18 C5_18 C4_18 -59.2(2) . . . . ?
C1_18 C2_18 C3_18 C4_18 54.5(2) . . . . ?
C2_18 C3_18 C4_18 C5_18 -53.8(2) . . . . ?
C3_18 C4_18 C5_18 N2_18 56.3(2) . . . . ?
C5_18 N2_18 C1_18 C2_18 59.8(2) . . . . ?
N2_19 P7 N25 Fe4 127.74(14) . . . . ?
N2_19 P7 N2_16 C1_16 171.6(2) . . . . ?
N2_19 P7 N2_16 C5_16 -66.3(2) . . . . ?
N2_19 P7 N2_17 C1_17 -45.2(3) . . . . ?
N2_19 P7 N2_17 C5_17 148.6(3) . . . . ?
N2_19 P7 N2_18 C1_18 -56.57(16) . . . . ?
N2_19 P7 N2_18 C5_18 82.83(15) . . . . ?
N2_19 C1_19 C2_19 C3_19 -55.1(2) . . . . ?
C1_19 N2_19 C5_19 C4_19 -58.7(2) . . . . ?
C1_19 C2_19 C3_19 C4_19 53.9(2) . . . . ?
C2_19 C3_19 C4_19 C5_19 -54.7(2) . . . . ?
C3_19 C4_19 C5_19 N2_19 56.3(2) . . . . ?
C5_19 N2_19 C1_19 C2_19 58.4(2) . . . . ?
N2_20 P6 N2_15 C1_15 157.59(14) . . . . ?
N2_20 P6 N2_15 C5_15 -63.93(14) . . . . ?
N2_20 P6 N2_25 C1_25 140.33(17) . . . . ?
N2_20 P6 N2_25 C5_25 -37.1(2) . . . . ?
N2_20 C1_20 C2_20 C3_20 -55.2(2) . . . . ?
C1_20 N2_20 C5_20 C4_20 -60.2(2) . . . . ?
C1_20 C2_20 C3_20 C4_20 53.4(2) . . . . ?
C2_20 C3_20 C4_20 C5_20 -54.7(2) . . . . ?
C3_20 C4_20 C5_20 N2_20 57.8(2) . . . . ?
C5_20 N2_20 C1_20 C2_20 59.0(2) . . . . ?
N2_21 P8 N2_13 C1_13 166.78(12) . . . . ?
N2_21 P8 N2_13 C5_13 -56.74(14) . . . . ?
N2_21 P8 N2_23 C1_23 -61.05(15) . . . . ?
N2_21 P8 N2_23 C5_23 78.99(13) . . . . ?
N2_21 C1_21 C2_21 C3_21 -55.9(2) . . . . ?
C1_21 N2_21 C5_21 C4_21 -59.65(19) . . . . ?
C1_21 C2_21 C3_21 C4_21 53.8(2) . . . . ?
C2_21 C3_21 C4_21 C5_21 -54.0(2) . . . . ?
C3_21 C4_21 C5_21 N2_21 56.9(2) . . . . ?
C5_21 N2_21 C1_21 C2_21 59.03(19) . . . . ?
N2_22 P4 N13 Fe1 127.40(13) . . . . ?
N2_22 P4 N13 Fe2 -4.41(16) . . . . ?
N2_22 P4 N2_2 C1_2 35.12(17) . . . . ?
N2_22 P4 N2_2 C5_2 -175.40(13) . . . . ?
N2_22 P4 N2_3 C1_3 -55.84(16) . . . . ?
N2_22 P4 N2_3 C5_3 125.94(14) . . . . ?
N2_22 C1_22 C2_22 C3_22 -56.7(2) . . . . ?
C1_22 N2_22 C5_22 C4_22 -61.68(17) . . . . ?
C1_22 C2_22 C3_22 C4_22 52.3(2) . . . . ?
C2_22 C3_22 C4_22 C5_22 -53.0(2) . . . . ?
C3_22 C4_22 C5_22 N2_22 57.31(19) . . . . ?
C5_22 N2_22 C1_22 C2_22 61.87(18) . . . . ?
N2_23 P8 N2_13 C1_13 51.65(14) . . . . ?
N2_23 P8 N2_13 C5_13 -171.86(13) . . . . ?
N2_23 P8 N2_21 C1_21 -91.23(15) . . . . ?
N2_23 P8 N2_21 C5_21 59.56(16) . . . . ?
N2_23 C1_23 C2_23 C3_23 -57.99(19) . . . . ?
C1_23 N2_23 C5_23 C4_23 -59.76(18) . . . . ?
C1_23 C2_23 C3_23 C4_23 54.2(2) . . . . ?
C2_23 C3_23 C4_23 C5_23 -52.6(2) . . . . ?
C3_23 C4_23 C5_23 N2_23 55.3(2) . . . . ?
C5_23 N2_23 C1_23 C2_23 60.84(18) . . . . ?
N2_24 P2 N2_6 C1_6 35.62(18) . . . . ?
N2_24 P2 N2_6 C5_6 -147.10(16) . . . . ?
N2_24 P2 N2_7 C1_7 66.20(14) . . . . ?
N2_24 P2 N2_7 C5_7 -152.30(14) . . . . ?
N2_24 C1_24 C2_24 C3_24 -56.9(2) . . . . ?
C1_24 N2_24 C5_24 C4_24 -59.0(2) . . . . ?
C1_24 C2_24 C3_24 C4_24 54.2(2) . . . . ?
C2_24 C3_24 C4_24 C5_24 -53.5(2) . . . . ?
C3_24 C4_24 C5_24 N2_24 55.3(2) . . . . ?
C5_24 N2_24 C1_24 C2_24 60.0(2) . . . . ?
N2_25 P6 N2_15 C1_15 45.04(15) . . . . ?
N2_25 P6 N2_15 C5_15 -176.48(12) . . . . ?
N2_25 P6 N2_20 C1_20 -82.13(16) . . . . ?
N2_25 P6 N2_20 C5_20 79.49(18) . . . . ?
N2_25 C1_25 C2_25 C3_25 -56.0(3) . . . . ?
C1_25 N2_25 C5_25 C4_25 -60.7(2) . . . . ?
C1_25 C2_25 C3_25 C4_25 53.3(3) . . . . ?
C2_25 C3_25 C4_25 C5_25 -53.5(3) . . . . ?
C3_25 C4_25 C5_25 N2_25 56.7(3) . . . . ?
C5_25 N2_25 C1_25 C2_25 60.2(2) . . . . ?
