#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:05:03 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180122 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/20/7102012.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_7102012
loop_
_publ_author_name
'Li, Yongjun'
'Huffman, John C'
'Flood, Amar H'
_publ_section_title
;
 Can terdentate 2,6-bis(1,2,3-triazol-4-yl)pyridines form stable
 coordination compounds?
;
_journal_issue                   26
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2692
_journal_page_last               2694
_journal_paper_doi               10.1039/b703301j
_journal_year                    2007
_chemical_formula_moiety         'C30 H38 Fe N14 O4, 2(F6 P), H2 O'
_chemical_formula_sum            'C30 H40 F12 Fe N14 O5 P2'
_chemical_formula_weight         1022.55
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.726(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.156(3)
_cell_length_b                   26.836(6)
_cell_length_c                   14.153(3)
_cell_measurement_reflns_used    872
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.04
_cell_volume                     4097.9(16)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        'SAINT (Bruker, 1999), XTEL (local package)'
_computing_molecular_graphics    'Reciprocal Net (http://recipnet.org)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 44.52
_diffrn_detector_type            'Bruker SMART 6000'
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details
' 0.30 degree frames measured for 15.16 seconds each'
_diffrn_measurement_device       'three-circle goniometer with fixed chi'
_diffrn_measurement_device_type  'Bruker Platform goniometer'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_sigmaI/netI    0.0900
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            16775
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         2.03
_diffrn_standards_decay_%        0.0
_exptl_absorpt_coefficient_mu    0.556
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.65
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2048
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.947
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.882
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     383
_refine_ls_number_reflns         4723
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.882
_refine_ls_R_factor_all          0.0813
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0440P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0887
_refine_ls_wR_factor_ref         0.1016
_reflns_number_gt                2881
_reflns_number_total             4723
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b703301j.txt
_cod_data_source_block           06168
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      'C2/c '
_cod_database_code               7102012
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Fe1 Fe 0.5000 0.68705(2) 0.7500 0.01822(14) Uani 1 2 d S
O1S O 0.4724(5) 1.0070(2) 0.9553(4) 0.0681(17) Uani 0.50 1 d P
N2 N 0.61640(19) 0.63585(8) 0.73509(14) 0.0191(5) Uani 1 1 d .
N3 N 0.62877(19) 0.60704(8) 0.66334(15) 0.0218(5) Uani 1 1 d .
N4 N 0.7247(2) 0.57642(8) 0.70215(15) 0.0224(5) Uani 1 1 d .
C5 C 0.7738(3) 0.58598(10) 0.79796(18) 0.0224(6) Uani 1 1 d .
C6 C 0.7047(2) 0.62400(10) 0.81968(17) 0.0198(6) Uani 1 1 d .
C7 C 0.6991(2) 0.65380(9) 0.90385(18) 0.0200(5) Uani 1 1 d .
N8 N 0.60260(18) 0.68612(8) 0.88146(14) 0.0181(4) Uani 1 1 d .
C9 C 0.5770(2) 0.71599(9) 0.95020(17) 0.0203(6) Uani 1 1 d .
C10 C 0.4677(2) 0.74635(9) 0.90762(17) 0.0201(6) Uani 1 1 d .
C11 C 0.3979(3) 0.78211(10) 0.93631(19) 0.0246(6) Uani 1 1 d .
N12 N 0.3076(2) 0.79296(8) 0.85499(15) 0.0220(5) Uani 1 1 d .
N13 N 0.31884(19) 0.76591(8) 0.77833(15) 0.0212(5) Uani 1 1 d .
N14 N 0.41691(19) 0.73724(8) 0.80966(14) 0.0187(5) Uani 1 1 d .
C15 C 0.7760(2) 0.65224(10) 0.99803(18) 0.0220(6) Uani 1 1 d .
C16 C 0.7503(2) 0.68315(10) 1.06868(18) 0.0230(6) Uani 1 1 d .
C17 C 0.6495(3) 0.71529(10) 1.04640(18) 0.0230(6) Uani 1 1 d .
C18 C 0.7680(3) 0.54147(11) 0.6393(2) 0.0271(6) Uani 1 1 d .
C19 C 0.6644(3) 0.50890(13) 0.5804(2) 0.0363(8) Uani 1 1 d .
C20 C 0.7080(3) 0.47838(13) 0.5052(2) 0.0383(8) Uani 1 1 d .
O21 O 0.7528(3) 0.50892(10) 0.43893(17) 0.0644(8) Uani 1 1 d .
H21 H 0.6981 0.5297 0.4129 0.15(3) Uiso 1 1 calc R
C22 C 0.2076(3) 0.83040(12) 0.8368(2) 0.0292(7) Uani 1 1 d .
C23 C 0.1757(3) 0.84866(13) 0.9274(2) 0.0323(7) Uani 1 1 d .
C24 C 0.0599(3) 0.88169(12) 0.9006(2) 0.0328(7) Uani 1 1 d .
O25 O 0.0763(2) 0.92318(8) 0.84361(17) 0.0394(6) Uani 1 1 d .
H25 H 0.0067 0.9341 0.8130 0.23(8) Uiso 1 1 calc R
P26 P 0.0000 0.68390(4) 0.7500 0.0277(2) Uani 1 2 d S
F27 F 0.0000 0.62448(9) 0.7500 0.0370(6) Uani 1 2 d S
F28 F 0.0000 0.74344(10) 0.7500 0.0609(9) Uani 1 2 d S
F29 F 0.13727(15) 0.68356(7) 0.81989(13) 0.0449(5) Uani 1 1 d .
F30 F -0.05594(16) 0.68432(7) 0.84364(12) 0.0429(5) Uani 1 1 d .
P31 P 0.5000 0.91143(4) 0.7500 0.0338(3) Uani 1 2 d S
F32 F 0.5000 0.85155(13) 0.7500 0.060(2) Uani 0.848(14) 2 d SP
F33 F 0.5000 0.97016(11) 0.7500 0.085(3) Uani 1 2 d SP
F34 F 0.64763(15) 0.91187(7) 0.79142(13) 0.0418(5) Uani 1 1 d .
F35 F 0.4839(2) 0.90939(15) 0.85884(16) 0.0671(15) Uani 0.847(9) 1 d P
F36 F 0.4909(18) 0.8698(10) 0.8137(18) 0.035(9) Uiso 0.088(9) 1 d P
F37 F 0.492(2) 0.9519(12) 0.836(2) 0.097(11) Uiso 0.150(11) 1 d P
H36 H 0.841(2) 0.5656(10) 0.8361(19) 0.021(7) Uiso 1 1 d .
H37 H 0.401(2) 0.7987(10) 0.992(2) 0.020(7) Uiso 1 1 d .
H38 H 0.842(2) 0.6315(9) 1.0093(18) 0.013(7) Uiso 1 1 d .
H39 H 0.798(3) 0.6818(10) 1.135(2) 0.031(8) Uiso 1 1 d .
H40 H 0.633(2) 0.7360(9) 1.0918(18) 0.008(6) Uiso 1 1 d .
H41 H 0.839(3) 0.5188(11) 0.682(2) 0.040(9) Uiso 1 1 d .
H42 H 0.803(3) 0.5605(11) 0.599(2) 0.029(8) Uiso 1 1 d .
H43 H 0.595(3) 0.5295(12) 0.547(2) 0.035(9) Uiso 1 1 d .
H44 H 0.635(3) 0.4873(12) 0.618(2) 0.041(10) Uiso 1 1 d .
H45 H 0.644(3) 0.4562(13) 0.475(3) 0.055(11) Uiso 1 1 d .
H46 H 0.783(3) 0.4585(11) 0.536(2) 0.038(9) Uiso 1 1 d .
H48 H 0.236(3) 0.8573(13) 0.807(3) 0.047(10) Uiso 1 1 d .
H49 H 0.137(3) 0.8108(11) 0.792(2) 0.040(9) Uiso 1 1 d .
H50 H 0.246(3) 0.8676(14) 0.970(3) 0.061(11) Uiso 1 1 d .
H51 H 0.153(3) 0.8187(13) 0.965(3) 0.057(11) Uiso 1 1 d .
H52 H -0.009(3) 0.8618(12) 0.863(3) 0.053(10) Uiso 1 1 d .
H53 H 0.039(3) 0.8922(12) 0.963(3) 0.047(10) Uiso 1 1 d .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
N8 Fe1 N8 178.51(13) . 2_656
N8 Fe1 N2 97.82(9) . 2_656
N8 Fe1 N2 81.12(9) 2_656 2_656
N8 Fe1 N2 81.11(9) . .
N8 Fe1 N2 97.82(9) 2_656 .
N2 Fe1 N2 89.73(13) 2_656 .
N8 Fe1 N14 79.68(9) . .
N8 Fe1 N14 101.37(8) 2_656 .
N2 Fe1 N14 92.14(9) 2_656 .
N2 Fe1 N14 160.78(8) . .
N8 Fe1 N14 101.37(8) . 2_656
N8 Fe1 N14 79.68(9) 2_656 2_656
N2 Fe1 N14 160.78(8) 2_656 2_656
N2 Fe1 N14 92.14(9) . 2_656
N14 Fe1 N14 92.35(13) . 2_656
N3 N2 C6 110.1(2) . .
N3 N2 Fe1 135.03(16) . .
C6 N2 Fe1 114.78(17) . .
N2 N3 N4 105.81(19) . .
N3 N4 C5 111.7(2) . .
N3 N4 C18 119.7(2) . .
C5 N4 C18 128.5(2) . .
N4 C5 C6 105.1(2) . .
N4 C5 H36 120.5(16) . .
C6 C5 H36 134.3(16) . .
C5 C6 N2 107.3(2) . .
C5 C6 C7 138.2(2) . .
N2 C6 C7 114.5(2) . .
N8 C7 C15 120.2(2) . .
N8 C7 C6 111.0(2) . .
C15 C7 C6 128.8(2) . .
C9 N8 C7 120.9(2) . .
C9 N8 Fe1 120.57(17) . .
C7 N8 Fe1 118.49(17) . .
N8 C9 C17 121.3(2) . .
N8 C9 C10 110.0(2) . .
C17 C9 C10 128.7(3) . .
C11 C10 N14 107.7(2) . .
C11 C10 C9 138.6(2) . .
N14 C10 C9 113.7(2) . .
N12 C11 C10 104.8(2) . .
N12 C11 H37 119.5(17) . .
C10 C11 H37 135.7(17) . .
N13 N12 C11 111.7(2) . .
N13 N12 C22 116.80(19) . .
C11 N12 C22 131.4(2) . .
N14 N13 N12 106.53(18) . .
N13 N14 C10 109.2(2) . .
N13 N14 Fe1 134.76(16) . .
C10 N14 Fe1 116.08(16) . .
C16 C15 C7 118.9(2) . .
C16 C15 H38 123.4(16) . .
C7 C15 H38 117.6(16) . .
C15 C16 C17 120.8(2) . .
C15 C16 H39 121.1(18) . .
C17 C16 H39 118.0(18) . .
C16 C17 C9 117.7(3) . .
C16 C17 H40 121.2(15) . .
C9 C17 H40 121.0(15) . .
N4 C18 C19 112.4(3) . .
N4 C18 H41 109.5(17) . .
C19 C18 H41 110.0(16) . .
N4 C18 H42 106.2(19) . .
C19 C18 H42 111.1(18) . .
H41 C18 H42 107(2) . .
C18 C19 C20 111.2(3) . .
C18 C19 H43 109.9(18) . .
C20 C19 H43 109.3(18) . .
C18 C19 H44 113(2) . .
C20 C19 H44 107(2) . .
H43 C19 H44 107(3) . .
O21 C20 C19 112.3(3) . .
O21 C20 H45 115(2) . .
C19 C20 H45 109(2) . .
O21 C20 H46 101.3(18) . .
C19 C20 H46 111.5(18) . .
H45 C20 H46 108(3) . .
C20 O21 H21 109.5 . .
N12 C22 C23 114.0(2) . .
N12 C22 H48 106(2) . .
C23 C22 H48 109(2) . .
N12 C22 H49 100.9(17) . .
C23 C22 H49 112.6(19) . .
H48 C22 H49 114(3) . .
C22 C23 C24 110.2(2) . .
C22 C23 H50 111(2) . .
C24 C23 H50 110(2) . .
C22 C23 H51 109(2) . .
C24 C23 H51 106(2) . .
H50 C23 H51 110(3) . .
O25 C24 C23 112.0(3) . .
O25 C24 H52 109(2) . .
C23 C24 H52 108(2) . .
O25 C24 H53 111.8(19) . .
C23 C24 H53 108.3(18) . .
H52 C24 H53 107(3) . .
C24 O25 H25 109.5 . .
F27 P26 F29 89.67(8) . .
F27 P26 F29 89.67(8) . 2_556
F29 P26 F29 179.33(16) . 2_556
F27 P26 F28 180.000(1) . .
F29 P26 F28 90.33(8) . .
F29 P26 F28 90.33(8) 2_556 .
F27 P26 F30 90.40(8) . 2_556
F29 P26 F30 89.92(9) . 2_556
F29 P26 F30 90.08(9) 2_556 2_556
F28 P26 F30 89.60(8) . 2_556
F27 P26 F30 90.40(8) . .
F29 P26 F30 90.08(9) . .
F29 P26 F30 89.92(9) 2_556 .
F28 P26 F30 89.60(8) . .
F30 P26 F30 179.20(16) 2_556 .
F36 P31 F36 80(2) 2_656 .
F36 P31 F33 140.2(12) 2_656 .
F36 P31 F33 140.2(12) . .
F36 P31 F35 48.2(12) 2_656 2_656
F36 P31 F35 127.9(12) . 2_656
F33 P31 F35 91.96(15) . 2_656
F36 P31 F35 127.9(12) 2_656 .
F36 P31 F35 48.2(12) . .
F33 P31 F35 91.96(15) . .
F35 P31 F35 176.1(3) 2_656 .
F36 P31 F34 90.4(8) 2_656 2_656
F36 P31 F34 90.3(8) . 2_656
F33 P31 F34 89.58(7) . 2_656
F35 P31 F34 90.24(11) 2_656 2_656
F35 P31 F34 89.79(11) . 2_656
F36 P31 F34 90.3(8) 2_656 .
F36 P31 F34 90.4(8) . .
F33 P31 F34 89.57(7) . .
F35 P31 F34 89.79(11) 2_656 .
F35 P31 F34 90.24(11) . .
F34 P31 F34 179.15(15) 2_656 .
F36 P31 F32 39.8(12) 2_656 .
F36 P31 F32 39.8(12) . .
F33 P31 F32 180.000(1) . .
F35 P31 F32 88.04(15) 2_656 .
F35 P31 F32 88.04(15) . .
F34 P31 F32 90.42(7) 2_656 .
F34 P31 F32 90.43(7) . .
F36 P31 F37 91.3(18) 2_656 2_656
F36 P31 F37 170.9(17) . 2_656
F33 P31 F37 48.8(13) . 2_656
F35 P31 F37 43.2(12) 2_656 2_656
F35 P31 F37 140.7(14) . 2_656
F34 P31 F37 88.1(8) 2_656 2_656
F34 P31 F37 91.3(8) . 2_656
F32 P31 F37 131.2(13) . 2_656
F36 P31 F37 170.9(17) 2_656 .
F36 P31 F37 91.4(18) . .
F33 P31 F37 48.8(13) . .
F35 P31 F37 140.7(14) 2_656 .
F35 P31 F37 43.2(12) . .
F34 P31 F37 91.3(8) 2_656 .
F34 P31 F37 88.1(8) . .
F32 P31 F37 131.2(13) . .
F37 P31 F37 98(3) 2_656 .
F36 F32 F36 125(2) . 2_656
F36 F32 P31 62.3(12) . .
F36 F32 P31 62.3(12) 2_656 .
F37 F33 F37 137(2) . 2_656
F37 F33 P31 68.5(12) . .
F37 F33 P31 68.5(12) 2_656 .
F37 F35 F36 130.8(16) . .
F37 F35 P31 70.9(12) . .
F36 F35 P31 60.0(10) . .
F32 F36 F35 150(2) . .
F32 F36 P31 77.9(14) . .
F35 F36 P31 71.8(12) . .
F35 F37 F33 128.5(19) . .
F35 F37 P31 66.0(12) . .
F33 F37 P31 62.6(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Fe1 N8 1.9208(19) .
Fe1 N8 1.9209(19) 2_656
Fe1 N2 1.938(2) 2_656
Fe1 N2 1.938(2) .
Fe1 N14 1.945(2) .
Fe1 N14 1.945(2) 2_656
O1S O1S 1.313(10) 5_677
N2 N3 1.311(3) .
N2 C6 1.380(3) .
N3 N4 1.350(3) .
N4 C5 1.352(3) .
N4 C18 1.457(4) .
C5 C6 1.360(4) .
C5 H36 0.98(3) .
C6 C7 1.450(4) .
C7 N8 1.356(3) .
C7 C15 1.390(3) .
N8 C9 1.346(3) .
C9 C17 1.396(3) .
C9 C10 1.463(4) .
C10 C11 1.361(4) .
C10 N14 1.380(3) .
C11 N12 1.354(3) .
C11 H37 0.90(3) .
N12 N13 1.337(3) .
N12 C22 1.475(4) .
N13 N14 1.319(3) .
C15 C16 1.384(4) .
C15 H38 0.91(2) .
C16 C17 1.388(4) .
C16 H39 0.95(3) .
C17 H40 0.90(3) .
C18 C19 1.518(4) .
C18 H41 1.06(3) .
C18 H42 0.92(3) .
C19 C20 1.517(5) .
C19 H43 0.97(3) .
C19 H44 0.90(3) .
C20 O21 1.428(4) .
C20 H45 0.94(4) .
C20 H46 1.00(3) .
O21 H21 0.8400 .
C22 C23 1.497(4) .
C22 H48 0.94(3) .
C22 H49 1.02(3) .
C23 C24 1.533(4) .
C23 H50 1.00(4) .
C23 H51 1.03(4) .
C24 O25 1.413(4) .
C24 H52 0.97(3) .
C24 H53 1.02(4) .
O25 H25 0.8400 .
P26 F27 1.595(3) .
P26 F29 1.5980(16) .
P26 F29 1.5980(16) 2_556
P26 F28 1.598(3) .
P26 F30 1.6021(18) 2_556
P26 F30 1.6021(18) .
P31 F36 1.46(2) 2_656
P31 F36 1.46(2) .
P31 F33 1.576(3) .
P31 F35 1.596(2) 2_656
P31 F35 1.596(2) .
P31 F34 1.6016(17) 2_656
P31 F34 1.6016(17) .
P31 F32 1.607(4) .
P31 F37 1.65(2) 2_656
P31 F37 1.65(2) .
F32 F36 1.05(3) .
F32 F36 1.05(3) 2_656
F33 F37 1.34(3) .
F33 F37 1.34(3) 2_656
F35 F37 1.20(3) .
F35 F36 1.25(3) .
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
N8 Fe1 N2 N3 177.8(3) .
N8 Fe1 N2 N3 -1.2(3) 2_656
N2 Fe1 N2 N3 79.8(2) 2_656
N14 Fe1 N2 N3 175.5(2) .
N14 Fe1 N2 N3 -81.1(2) 2_656
N8 Fe1 N2 C6 1.98(18) .
N8 Fe1 N2 C6 -176.97(18) 2_656
N2 Fe1 N2 C6 -95.98(19) 2_656
N14 Fe1 N2 C6 -0.3(4) .
N14 Fe1 N2 C6 103.16(18) 2_656
C6 N2 N3 N4 0.4(3) .
Fe1 N2 N3 N4 -175.52(19) .
N2 N3 N4 C5 -0.5(3) .
N2 N3 N4 C18 -176.1(2) .
N3 N4 C5 C6 0.4(3) .
C18 N4 C5 C6 175.5(3) .
N4 C5 C6 N2 -0.2(3) .
N4 C5 C6 C7 179.6(3) .
N3 N2 C6 C5 -0.2(3) .
Fe1 N2 C6 C5 176.67(18) .
N3 N2 C6 C7 -180.0(2) .
Fe1 N2 C6 C7 -3.1(3) .
C5 C6 C7 N8 -177.0(3) .
N2 C6 C7 N8 2.7(3) .
C5 C6 C7 C15 2.3(5) .
N2 C6 C7 C15 -178.0(3) .
C15 C7 N8 C9 -2.2(4) .
C6 C7 N8 C9 177.2(2) .
C15 C7 N8 Fe1 179.56(19) .
C6 C7 N8 Fe1 -1.1(3) .
N2 Fe1 N8 C9 -90.2(2) 2_656
N2 Fe1 N8 C9 -178.7(2) .
N14 Fe1 N8 C9 0.55(19) .
N14 Fe1 N8 C9 90.9(2) 2_656
N2 Fe1 N8 C7 88.0(2) 2_656
N2 Fe1 N8 C7 -0.45(19) .
N14 Fe1 N8 C7 178.8(2) .
N14 Fe1 N8 C7 -90.9(2) 2_656
C7 N8 C9 C17 0.9(4) .
Fe1 N8 C9 C17 179.1(2) .
C7 N8 C9 C10 -178.9(2) .
Fe1 N8 C9 C10 -0.7(3) .
N8 C9 C10 C11 -179.8(3) .
C17 C9 C10 C11 0.4(5) .
N8 C9 C10 N14 0.5(3) .
C17 C9 C10 N14 -179.3(3) .
N14 C10 C11 N12 0.3(3) .
C9 C10 C11 N12 -179.4(3) .
C10 C11 N12 N13 -0.2(3) .
C10 C11 N12 C22 -176.1(3) .
C11 N12 N13 N14 0.0(3) .
C22 N12 N13 N14 176.6(2) .
N12 N13 N14 C10 0.2(3) .
N12 N13 N14 Fe1 179.71(19) .
C11 C10 N14 N13 -0.3(3) .
C9 C10 N14 N13 179.5(2) .
C11 C10 N14 Fe1 -179.93(18) .
C9 C10 N14 Fe1 -0.1(3) .
N8 Fe1 N14 N13 -179.6(3) .
N8 Fe1 N14 N13 -0.7(3) 2_656
N2 Fe1 N14 N13 -82.1(2) 2_656
N2 Fe1 N14 N13 -177.4(2) .
N14 Fe1 N14 N13 79.2(2) 2_656
N8 Fe1 N14 C10 -0.19(18) .
N8 Fe1 N14 C10 178.73(18) 2_656
N2 Fe1 N14 C10 97.37(18) 2_656
N2 Fe1 N14 C10 2.1(4) .
N14 Fe1 N14 C10 -101.32(19) 2_656
N8 C7 C15 C16 1.7(4) .
C6 C7 C15 C16 -177.5(3) .
C7 C15 C16 C17 0.0(4) .
C15 C16 C17 C9 -1.3(4) .
N8 C9 C17 C16 0.9(4) .
C10 C9 C17 C16 -179.4(3) .
N3 N4 C18 C19 -53.7(4) .
C5 N4 C18 C19 131.6(3) .
N4 C18 C19 C20 171.7(3) .
C18 C19 C20 O21 -58.5(4) .
N13 N12 C22 C23 163.1(3) .
C11 N12 C22 C23 -21.1(5) .
N12 C22 C23 C24 -172.2(3) .
C22 C23 C24 O25 -58.6(4) .
