#------------------------------------------------------------------------------
#$Date: 2020-07-28 04:19:40 +0300 (Tue, 28 Jul 2020) $
#$Revision: 254613 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/09/7240960.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_7240960
loop_
_publ_author_name
'Basak, Tanmoy'
'Frontera, Antonio'
'Chattopadhyay, Shouvik'
_publ_section_title
;
 A theoretical insight into non-covalent supramolecular interactions in
 the solid state structures of two octahedral iron(III)complexes
;
_journal_name_full               CrystEngComm
_journal_paper_doi               10.1039/D0CE00955E
_journal_year                    2020
_chemical_formula_sum            'C24 H34 Cl Fe N4 O6'
_chemical_formula_weight         565.85
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-07-02 deposited with the CCDC.	2020-07-27 downloaded from the CCDC.
;
_cell_angle_alpha                96.95(2)
_cell_angle_beta                 108.18(2)
_cell_angle_gamma                109.27(2)
_cell_formula_units_Z            2
_cell_length_a                   9.866(9)
_cell_length_b                   10.754(9)
_cell_length_c                   13.600(12)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      25.87
_cell_measurement_theta_min      2.06
_cell_volume                     1253.1(19)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.917
_diffrn_measured_fraction_theta_max 0.917
_diffrn_measurement_device_type  'BRUKER D8 QUEST area detector'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0825
_diffrn_reflns_av_unetI/netI     0.1240
_diffrn_reflns_Laue_measured_fraction_full 0.917
_diffrn_reflns_Laue_measured_fraction_max 0.917
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            8064
_diffrn_reflns_point_group_measured_fraction_full 0.917
_diffrn_reflns_point_group_measured_fraction_max 0.917
_diffrn_reflns_theta_full        24.895
_diffrn_reflns_theta_max         24.895
_diffrn_reflns_theta_min         2.072
_exptl_absorpt_coefficient_mu    0.756
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            BLACK
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             594
_exptl_transmission_factor_max   0.875
_exptl_transmission_factor_min   0.669
_refine_diff_density_max         1.072
_refine_diff_density_min         -0.514
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     335
_refine_ls_number_reflns         4000
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.1737
_refine_ls_R_factor_gt           0.1045
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1592P)²+7.7791P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2757
_refine_ls_wR_factor_ref         0.3419
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2323
_reflns_number_total             4000
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0ce00955e1.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_original_cell_volume        1253.2(19)
_cod_database_code               7240960
_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.
;
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 0.43209(14) 0.74328(14) 0.22597(11) 0.0462(5) Uani 1 1 d . . . . .
O1 O 0.2493(7) 0.6594(7) 0.2494(6) 0.0507(18) Uani 1 1 d . . . . .
O5 O 0.0101(7) 0.4951(7) 0.2723(6) 0.0557(19) Uani 1 1 d . . . . .
N1 N 0.4609(9) 0.9214(8) 0.2959(7) 0.049(2) Uani 1 1 d . . . . .
N3 N 0.2966(9) 0.7449(9) 0.0779(7) 0.043(2) Uani 1 1 d . . . . .
C24 C 0.8210(14) 0.7944(14) 0.6642(10) 0.083(4) Uani 1 1 d . . . . .
H24A H 0.849477 0.887111 0.699945 0.125 Uiso 1 1 calc R U . . .
H24B H 0.764091 0.734551 0.697333 0.125 Uiso 1 1 calc R U . . .
H24C H 0.912739 0.778405 0.669174 0.125 Uiso 1 1 calc R U . . .
O2 O 0.5594(7) 0.7385(6) 0.3583(5) 0.0476(17) Uani 1 1 d . . . . .
C6 C 0.2639(11) 0.8486(11) 0.3692(8) 0.050(3) Uani 1 1 d . . . . .
N2 N 0.6280(8) 0.8432(8) 0.2000(7) 0.043(2) Uani 1 1 d . . . . .
N4 N 0.4029(8) 0.5676(8) 0.1561(6) 0.046(2) Uani 1 1 d . . . . .
C11 C 0.2004(10) 0.7141(11) 0.3157(8) 0.050(3) Uani 1 1 d . . . . .
C7 C 0.1985(13) 0.8949(13) 0.4378(9) 0.062(3) Uani 1 1 d . . . . .
H7 H 0.241090 0.986204 0.473971 0.074 Uiso 1 1 calc R U . . .
C8 C 0.0755(12) 0.8078(13) 0.4512(9) 0.064(3) Uani 1 1 d . . . . .
H8 H 0.034810 0.840259 0.496965 0.077 Uiso 1 1 calc R U . . .
C9 C 0.0085(12) 0.6723(12) 0.3990(8) 0.058(3) Uani 1 1 d . . . . .
H9 H -0.075646 0.613345 0.409858 0.069 Uiso 1 1 calc R U . . .
C10 C 0.0686(10) 0.6242(11) 0.3291(8) 0.050(3) Uani 1 1 d . . . . .
C12 C -0.1227(14) 0.4009(13) 0.2831(11) 0.080(4) Uani 1 1 d . . . . .
H12A H -0.152652 0.312555 0.238430 0.121 Uiso 1 1 calc R U . . .
H12B H -0.097936 0.395959 0.356289 0.121 Uiso 1 1 calc R U . . .
H12C H -0.206567 0.430818 0.262005 0.121 Uiso 1 1 calc R U . . .
C5 C 0.3906(11) 0.9485(11) 0.3552(9) 0.053(3) Uani 1 1 d . . . . .
H5 H 0.423685 1.038653 0.391598 0.064 Uiso 1 1 calc R U . . .
C4 C 0.5817(11) 1.0292(10) 0.2829(9) 0.053(3) Uani 1 1 d . . . . .
H4A H 0.625210 1.108119 0.342764 0.063 Uiso 1 1 calc R U . . .
H4B H 0.540327 1.055393 0.217805 0.063 Uiso 1 1 calc R U . . .
C3 C 0.7080(11) 0.9773(11) 0.2774(9) 0.059(3) Uani 1 1 d . . . . .
H3A H 0.780607 1.039843 0.254170 0.071 Uiso 1 1 calc R U . . .
H3B H 0.764512 0.969063 0.347148 0.071 Uiso 1 1 calc R U . . .
C2 C 0.7351(11) 0.7724(12) 0.2078(10) 0.063(3) Uani 1 1 d . . . . .
H2A H 0.676896 0.682179 0.159921 0.075 Uiso 1 1 calc R U . . .
H2B H 0.769543 0.760918 0.279895 0.075 Uiso 1 1 calc R U . . .
C1 C 0.8762(12) 0.8383(13) 0.1829(10) 0.064(3) Uani 1 1 d . . . . .
H1A H 0.919040 0.935511 0.214187 0.077 Uiso 1 1 calc R U . . .
H1B H 0.953652 0.803487 0.215767 0.077 Uiso 1 1 calc R U . . .
O3 O 0.8457(13) 0.8160(13) 0.0749(9) 0.105(4) Uani 1 1 d . . . . .
H3O H 0.829515 0.879827 0.053665 0.158 Uiso 1 1 calc R U . . .
C15 C 0.2083(12) 0.5964(11) 0.0178(8) 0.057(3) Uani 1 1 d . . . . .
H15A H 0.126350 0.553448 0.042523 0.068 Uiso 1 1 calc R U . . .
H15B H 0.162477 0.588055 -0.058210 0.068 Uiso 1 1 calc R U . . .
C16 C 0.3217(12) 0.5319(12) 0.0394(8) 0.060(3) Uani 1 1 d . . . . .
H16A H 0.269314 0.433981 0.012034 0.072 Uiso 1 1 calc R U . . .
H16B H 0.394652 0.565266 0.005255 0.072 Uiso 1 1 calc R U . . .
C17 C 0.4391(11) 0.4768(11) 0.2029(9) 0.055(3) Uani 1 1 d . . . . .
H17 H 0.405555 0.389745 0.160370 0.066 Uiso 1 1 calc R U . . .
C18 C 0.5249(11) 0.5015(11) 0.3124(9) 0.050(3) Uani 1 1 d . . . . .
C23 C 0.5827(10) 0.6302(10) 0.3839(9) 0.046(2) Uani 1 1 d . . . . .
C22 C 0.6756(11) 0.6447(11) 0.4916(9) 0.052(3) Uani 1 1 d . . . . .
O6 O 0.7276(8) 0.7696(8) 0.5556(6) 0.064(2) Uani 1 1 d . . . . .
C21 C 0.7028(12) 0.5350(13) 0.5240(10) 0.062(3) Uani 1 1 d . . . . .
H21 H 0.762463 0.545707 0.595012 0.074 Uiso 1 1 calc R U . . .
C20 C 0.6429(13) 0.4107(12) 0.4528(10) 0.061(3) Uani 1 1 d . . . . .
H20 H 0.660394 0.337633 0.476276 0.074 Uiso 1 1 calc R U . . .
C19 C 0.5589(12) 0.3936(12) 0.3492(10) 0.061(3) Uani 1 1 d . . . . .
H19 H 0.522814 0.309839 0.301277 0.073 Uiso 1 1 calc R U . . .
C14 C 0.1913(12) 0.8164(12) 0.0738(9) 0.059(3) Uani 1 1 d . . . . .
H14A H 0.252632 0.909402 0.116071 0.070 Uiso 1 1 calc R U . . .
H14B H 0.121207 0.773613 0.107569 0.070 Uiso 1 1 calc R U . . .
C13 C 0.0960(14) 0.8202(16) -0.0354(10) 0.079(4) Uani 1 1 d . . . . .
H13A H 0.020870 0.728936 -0.074174 0.095 Uiso 1 1 calc R U . . .
H13B H 0.039324 0.876876 -0.027824 0.095 Uiso 1 1 calc R U . . .
O4 O 0.1851(12) 0.8702(12) -0.0949(8) 0.097(3) Uani 1 1 d . . . . .
H4O H 0.270365 0.926817 -0.054562 0.145 Uiso 1 1 calc R U . . .
Cl1 Cl 0.5414(4) 0.8311(4) -0.0555(3) 0.0785(10) Uani 1 1 d . . . . .
H2 H 0.604(9) 0.865(8) 0.143(6) 0.02(2) Uiso 1 1 d . . . . .
H3 H 0.356(13) 0.735(12) 0.059(9) 0.06(4) 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'
Cl Cl 0.1484 0.1585 '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'
S S 0.1246 0.1234 '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
_geom_angle_publ_flag
O2 Fe1 O1 93.5(3) . . ?
O2 Fe1 N4 94.2(3) . . ?
O1 Fe1 N4 87.2(3) . . ?
O2 Fe1 N1 86.2(3) . . ?
O1 Fe1 N1 92.8(3) . . ?
N4 Fe1 N1 179.6(4) . . ?
O2 Fe1 N2 87.9(3) . . ?
O1 Fe1 N2 177.0(3) . . ?
N4 Fe1 N2 95.3(4) . . ?
N1 Fe1 N2 84.6(4) . . ?
O2 Fe1 N3 177.7(4) . . ?
O1 Fe1 N3 87.8(3) . . ?
N4 Fe1 N3 84.1(4) . . ?
N1 Fe1 N3 95.5(4) . . ?
N2 Fe1 N3 90.8(4) . . ?
C11 O1 Fe1 126.5(6) . . ?
C10 O5 C12 117.9(9) . . ?
C5 N1 C4 120.2(9) . . ?
C5 N1 Fe1 126.2(8) . . ?
C4 N1 Fe1 113.5(7) . . ?
C14 N3 C15 111.5(8) . . ?
C14 N3 Fe1 117.1(7) . . ?
C15 N3 Fe1 105.1(6) . . ?
C23 O2 Fe1 126.0(6) . . ?
C11 C6 C7 119.5(10) . . ?
C11 C6 C5 123.0(10) . . ?
C7 C6 C5 117.4(10) . . ?
C3 N2 C2 110.2(8) . . ?
C3 N2 Fe1 107.0(6) . . ?
C2 N2 Fe1 115.6(6) . . ?
C17 N4 C16 119.7(9) . . ?
C17 N4 Fe1 126.0(7) . . ?
C16 N4 Fe1 114.1(7) . . ?
O1 C11 C6 125.2(9) . . ?
O1 C11 C10 115.7(9) . . ?
C6 C11 C10 119.1(10) . . ?
C8 C7 C6 120.6(11) . . ?
C7 C8 C9 121.6(11) . . ?
C8 C9 C10 119.0(11) . . ?
O5 C10 C9 124.0(9) . . ?
O5 C10 C11 115.9(9) . . ?
C9 C10 C11 120.1(10) . . ?
N1 C5 C6 124.2(10) . . ?
N1 C4 C3 108.1(9) . . ?
N2 C3 C4 106.7(8) . . ?
N2 C2 C1 117.4(10) . . ?
O3 C1 C2 113.1(10) . . ?
C16 C15 N3 106.5(8) . . ?
N4 C16 C15 106.9(9) . . ?
N4 C17 C18 124.8(10) . . ?
C17 C18 C23 122.3(10) . . ?
C17 C18 C19 117.6(10) . . ?
C23 C18 C19 120.0(10) . . ?
O2 C23 C18 125.3(9) . . ?
O2 C23 C22 117.7(9) . . ?
C18 C23 C22 117.0(9) . . ?
O6 C22 C21 125.2(10) . . ?
O6 C22 C23 114.2(9) . . ?
C21 C22 C23 120.6(10) . . ?
C22 O6 C24 118.6(9) . . ?
C20 C21 C22 120.8(11) . . ?
C19 C20 C21 120.6(11) . . ?
C20 C19 C18 120.9(11) . . ?
N3 C14 C13 116.4(10) . . ?
O4 C13 C14 113.0(10) . . ?
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 O2 1.864(7) . ?
Fe1 O1 1.877(7) . ?
Fe1 N4 1.895(8) . ?
Fe1 N1 1.920(9) . ?
Fe1 N2 2.040(8) . ?
Fe1 N3 2.046(8) . ?
O1 C11 1.311(12) . ?
O5 C10 1.339(12) . ?
O5 C12 1.430(13) . ?
N1 C5 1.282(14) . ?
N1 C4 1.437(13) . ?
N3 C14 1.475(13) . ?
N3 C15 1.516(13) . ?
C24 O6 1.413(13) . ?
O2 C23 1.325(11) . ?
C6 C11 1.370(14) . ?
C6 C7 1.418(15) . ?
C6 C5 1.436(15) . ?
N2 C3 1.474(13) . ?
N2 C2 1.480(14) . ?
N4 C17 1.313(13) . ?
N4 C16 1.471(13) . ?
C11 C10 1.421(14) . ?
C7 C8 1.346(16) . ?
C8 C9 1.374(16) . ?
C9 C10 1.399(15) . ?
C4 C3 1.542(16) . ?
C2 C1 1.501(15) . ?
C1 O3 1.377(15) . ?
C15 C16 1.475(15) . ?
C17 C18 1.405(15) . ?
C18 C23 1.412(14) . ?
C18 C19 1.415(15) . ?
C23 C22 1.422(14) . ?
C22 O6 1.345(13) . ?
C22 C21 1.386(15) . ?
C21 C20 1.372(17) . ?
C20 C19 1.347(15) . ?
C14 C13 1.503(15) . ?
C13 O4 1.398(15) . ?
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
O2 Fe1 O1 C11 71.6(8) . . . . ?
N4 Fe1 O1 C11 165.6(8) . . . . ?
N1 Fe1 O1 C11 -14.7(8) . . . . ?
N3 Fe1 O1 C11 -110.2(8) . . . . ?
O1 Fe1 O2 C23 76.6(8) . . . . ?
N4 Fe1 O2 C23 -10.9(8) . . . . ?
N1 Fe1 O2 C23 169.1(8) . . . . ?
N2 Fe1 O2 C23 -106.1(8) . . . . ?
O2 Fe1 N4 C17 12.7(9) . . . . ?
O1 Fe1 N4 C17 -80.7(8) . . . . ?
N2 Fe1 N4 C17 100.9(9) . . . . ?
N3 Fe1 N4 C17 -168.8(9) . . . . ?
O2 Fe1 N4 C16 -171.9(7) . . . . ?
O1 Fe1 N4 C16 94.7(7) . . . . ?
N2 Fe1 N4 C16 -83.7(7) . . . . ?
N3 Fe1 N4 C16 6.6(7) . . . . ?
Fe1 O1 C11 C6 9.3(15) . . . . ?
Fe1 O1 C11 C10 -172.2(6) . . . . ?
C7 C6 C11 O1 179.3(10) . . . . ?
C5 C6 C11 O1 2.6(16) . . . . ?
C7 C6 C11 C10 0.9(15) . . . . ?
C5 C6 C11 C10 -175.8(9) . . . . ?
C11 C6 C7 C8 0.3(17) . . . . ?
C5 C6 C7 C8 177.3(10) . . . . ?
C6 C7 C8 C9 -0.4(18) . . . . ?
C7 C8 C9 C10 -0.8(17) . . . . ?
C12 O5 C10 C9 0.4(15) . . . . ?
C12 O5 C10 C11 -179.9(10) . . . . ?
C8 C9 C10 O5 -178.3(9) . . . . ?
C8 C9 C10 C11 2.1(16) . . . . ?
O1 C11 C10 O5 -0.3(13) . . . . ?
C6 C11 C10 O5 178.3(9) . . . . ?
O1 C11 C10 C9 179.3(9) . . . . ?
C6 C11 C10 C9 -2.1(15) . . . . ?
C4 N1 C5 C6 177.0(9) . . . . ?
Fe1 N1 C5 C6 -7.7(14) . . . . ?
C11 C6 C5 N1 -3.3(16) . . . . ?
C7 C6 C5 N1 179.9(10) . . . . ?
C5 N1 C4 C3 143.1(9) . . . . ?
Fe1 N1 C4 C3 -32.8(9) . . . . ?
C2 N2 C3 C4 -167.2(9) . . . . ?
Fe1 N2 C3 C4 -40.8(10) . . . . ?
N1 C4 C3 N2 48.3(11) . . . . ?
C3 N2 C2 C1 -62.1(13) . . . . ?
Fe1 N2 C2 C1 176.5(8) . . . . ?
N2 C2 C1 O3 -80.0(14) . . . . ?
C14 N3 C15 C16 -172.6(9) . . . . ?
Fe1 N3 C15 C16 -44.9(10) . . . . ?
C17 N4 C16 C15 141.5(10) . . . . ?
Fe1 N4 C16 C15 -34.2(11) . . . . ?
N3 C15 C16 N4 51.3(11) . . . . ?
C16 N4 C17 C18 175.8(10) . . . . ?
Fe1 N4 C17 C18 -9.0(15) . . . . ?
N4 C17 C18 C23 -0.6(17) . . . . ?
N4 C17 C18 C19 -177.6(10) . . . . ?
Fe1 O2 C23 C18 5.6(13) . . . . ?
Fe1 O2 C23 C22 -175.5(7) . . . . ?
C17 C18 C23 O2 2.5(16) . . . . ?
C19 C18 C23 O2 179.5(9) . . . . ?
C17 C18 C23 C22 -176.4(9) . . . . ?
C19 C18 C23 C22 0.6(14) . . . . ?
O2 C23 C22 O6 0.7(13) . . . . ?
C18 C23 C22 O6 179.7(9) . . . . ?
O2 C23 C22 C21 179.1(10) . . . . ?
C18 C23 C22 C21 -1.9(15) . . . . ?
C21 C22 O6 C24 1.7(16) . . . . ?
C23 C22 O6 C24 180.0(10) . . . . ?
O6 C22 C21 C20 179.2(10) . . . . ?
C23 C22 C21 C20 1.0(17) . . . . ?
C22 C21 C20 C19 1.4(18) . . . . ?
C21 C20 C19 C18 -2.8(17) . . . . ?
C17 C18 C19 C20 178.9(10) . . . . ?
C23 C18 C19 C20 1.7(16) . . . . ?
C15 N3 C14 C13 -60.7(13) . . . . ?
Fe1 N3 C14 C13 178.3(8) . . . . ?
N3 C14 C13 O4 -53.2(16) . . . . ?
