# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2023

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_d20202a
_database_code_depnum_ccdc_archive 'CCDC 2195302'
loop_
_audit_author_name
_audit_author_address
'Chien-Wei Chiang'
;Soochow University
Taiwan
;
_audit_update_record             
;
2022-08-06 deposited with the CCDC.	2023-07-17 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C27 H33 Co Fe N4 O2'
_chemical_formula_sum            'C27 H33 Co Fe N4 O2'
_chemical_formula_weight         560.35

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'
Co Co 0.3494 0.9721 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   10.2255(12)
_cell_length_b                   11.5646(13)
_cell_length_c                   11.7408(12)
_cell_angle_alpha                84.859(3)
_cell_angle_beta                 76.424(3)
_cell_angle_gamma                75.669(3)
_cell_volume                     1306.9(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    9295
_cell_measurement_theta_min      3.048
_cell_measurement_theta_max      25.066

_exptl_crystal_description       prism
_exptl_crystal_colour            black
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.42
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.424
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             584
_exptl_absorpt_coefficient_mu    1.220
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5430
_exptl_absorpt_correction_T_max  0.8477
_exptl_absorpt_process_details   SADABS

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      200(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'D8 Venture'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            27393
_diffrn_reflns_av_R_equivalents  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0324
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.59
_diffrn_reflns_theta_max         25.06
_reflns_number_total             4549
_reflns_number_gt                4074
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2005)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0132P)²+20.9920P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4549
_refine_ls_number_parameters     322
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0852
_refine_ls_R_factor_gt           0.0787
_refine_ls_wR_factor_ref         0.2331
_refine_ls_wR_factor_gt          0.2294
_refine_ls_goodness_of_fit_ref   1.176
_refine_ls_restrained_S_all      1.176
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000

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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8396(8) 0.4322(7) 0.2879(7) 0.0246(16) Uani 1 1 d . . .
C2 C 0.8877(9) 0.4333(8) 0.3924(7) 0.0309(18) Uani 1 1 d . . .
H2 H 0.8461 0.4916 0.4565 0.037 Uiso 1 1 calc R . .
C3 C 1.0071(10) 0.3355(8) 0.3886(8) 0.040(2) Uani 1 1 d . . .
H3 H 1.0625 0.3140 0.4504 0.048 Uiso 1 1 calc R . .
C4 C 1.0345(9) 0.2765(8) 0.2832(8) 0.037(2) Uani 1 1 d . . .
H4 H 1.1110 0.2050 0.2578 0.044 Uiso 1 1 calc R . .
C5 C 0.9324(8) 0.3366(7) 0.2189(8) 0.0290(18) Uani 1 1 d . . .
H5 H 0.9257 0.3144 0.1405 0.035 Uiso 1 1 calc R . .
C6 C 1.2163(10) 0.5051(11) 0.2532(10) 0.053(3) Uani 1 1 d . . .
H6 H 1.2728 0.4816 0.3141 0.064 Uiso 1 1 calc R . .
C7 C 1.2349(10) 0.4444(9) 0.1488(9) 0.046(2) Uani 1 1 d . . .
H7 H 1.3072 0.3699 0.1246 0.055 Uiso 1 1 calc R . .
C8 C 1.1374(10) 0.5016(10) 0.0869(9) 0.046(2) Uani 1 1 d . . .
H8 H 1.1278 0.4774 0.0102 0.055 Uiso 1 1 calc R . .
C9 C 1.0525(10) 0.6029(9) 0.1522(12) 0.057(3) Uani 1 1 d . . .
H9 H 0.9726 0.6620 0.1294 0.068 Uiso 1 1 calc R . .
C10 C 1.1036(11) 0.6049(10) 0.2554(12) 0.062(3) Uani 1 1 d . . .
H10 H 1.0650 0.6646 0.3185 0.075 Uiso 1 1 calc R . .
C11 C 0.6640(9) 0.3625(7) 0.1599(7) 0.0285(18) Uani 1 1 d . . .
H11A H 0.5735 0.3482 0.1598 0.043 Uiso 1 1 calc R . .
H11B H 0.7072 0.3059 0.2152 0.043 Uiso 1 1 calc R . .
H11C H 0.7233 0.3517 0.0810 0.043 Uiso 1 1 calc R . .
C12 C 0.6454(8) 0.4893(6) 0.1967(7) 0.0222(16) Uani 1 1 d . . .
C13 C 0.5370(8) 0.5741(7) 0.1597(7) 0.0245(16) Uani 1 1 d . . .
H13 H 0.4831 0.5438 0.1192 0.029 Uiso 1 1 calc R . .
C14 C 0.4993(8) 0.6971(7) 0.1753(6) 0.0248(16) Uani 1 1 d . . .
C15 C 0.3956(10) 0.7681(8) 0.1066(8) 0.039(2) Uani 1 1 d . . .
H15A H 0.3836 0.8536 0.1166 0.058 Uiso 1 1 calc R . .
H15B H 0.3066 0.7463 0.1356 0.058 Uiso 1 1 calc R . .
H15C H 0.4296 0.7503 0.0234 0.058 Uiso 1 1 calc R . .
C16 C 0.5055(8) 0.8781(6) 0.2564(7) 0.0234(16) Uani 1 1 d . . .
C17 C 0.6012(8) 0.9458(7) 0.1954(7) 0.0266(17) Uani 1 1 d . . .
C18 C 0.7363(10) 0.8862(8) 0.1172(8) 0.039(2) Uani 1 1 d . . .
H18 H 0.7652 0.8040 0.1512 0.046 Uiso 1 1 calc R . .
C19 C 0.7205(15) 0.8723(12) -0.0070(10) 0.069(4) Uani 1 1 d . . .
H19A H 0.7006 0.9512 -0.0460 0.103 Uiso 1 1 calc R . .
H19B H 0.6442 0.8337 -0.0030 0.103 Uiso 1 1 calc R . .
H19C H 0.8065 0.8231 -0.0516 0.103 Uiso 1 1 calc R . .
C20 C 0.8514(11) 0.9491(11) 0.1142(12) 0.065(3) Uani 1 1 d . . .
H20A H 0.9396 0.9008 0.0720 0.097 Uiso 1 1 calc R . .
H20B H 0.8575 0.9596 0.1945 0.097 Uiso 1 1 calc R . .
H20C H 0.8313 1.0273 0.0740 0.097 Uiso 1 1 calc R . .
C21 C 0.5643(10) 1.0684(8) 0.2083(8) 0.037(2) Uani 1 1 d . . .
H21 H 0.6257 1.1156 0.1675 0.044 Uiso 1 1 calc R . .
C22 C 0.4384(10) 1.1242(7) 0.2804(8) 0.037(2) Uani 1 1 d . . .
H22 H 0.4145 1.2083 0.2880 0.045 Uiso 1 1 calc R . .
C23 C 0.3501(10) 1.0560(7) 0.3398(8) 0.035(2) Uani 1 1 d . . .
H23 H 0.2653 1.0942 0.3891 0.042 Uiso 1 1 calc R . .
C24 C 0.3806(8) 0.9330(7) 0.3302(7) 0.0286(17) Uani 1 1 d . . .
C25 C 0.2814(9) 0.8617(8) 0.4011(8) 0.035(2) Uani 1 1 d . . .
H25 H 0.3186 0.7758 0.3811 0.042 Uiso 1 1 calc R . .
C26 C 0.2708(12) 0.8731(9) 0.5337(8) 0.046(2) Uani 1 1 d . . .
H26A H 0.3639 0.8553 0.5492 0.069 Uiso 1 1 calc R . .
H26B H 0.2195 0.8165 0.5788 0.069 Uiso 1 1 calc R . .
H26C H 0.2221 0.9546 0.5568 0.069 Uiso 1 1 calc R . .
C27 C 0.1375(10) 0.9030(10) 0.3756(10) 0.051(3) Uani 1 1 d . . .
H27A H 0.1444 0.9020 0.2910 0.077 Uiso 1 1 calc R . .
H27B H 0.0958 0.9844 0.4028 0.077 Uiso 1 1 calc R . .
H27C H 0.0798 0.8493 0.4165 0.077 Uiso 1 1 calc R . .
Co1 Co 0.65356(11) 0.66155(9) 0.35559(9) 0.0223(3) Uani 1 1 d . . .
Fe1 Fe 1.04358(12) 0.44933(11) 0.24803(10) 0.0279(3) Uani 1 1 d . . .
N1 N 0.5488(8) 0.6231(6) 0.4811(6) 0.0355(17) Uani 1 1 d . . .
N2 N 0.7544(8) 0.7407(6) 0.3845(7) 0.0336(16) Uani 1 1 d . . .
N3 N 0.7221(6) 0.5163(5) 0.2628(5) 0.0199(13) Uani 1 1 d . . .
N4 N 0.5458(6) 0.7502(5) 0.2469(5) 0.0225(13) Uani 1 1 d . . .
O1 O 0.5234(9) 0.6269(7) 0.5838(6) 0.057(2) Uani 1 1 d . . .
O2 O 0.8216(8) 0.8093(6) 0.3879(7) 0.0536(19) Uani 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 N3 1.418(10) . ?
C1 C2 1.426(11) . ?
C1 C5 1.436(11) . ?
C1 Fe1 2.082(8) . ?
C2 C3 1.439(12) . ?
C2 Fe1 2.066(9) . ?
C2 H2 1.0000 . ?
C3 C4 1.403(13) . ?
C3 Fe1 2.039(9) . ?
C3 H3 1.0000 . ?
C4 C5 1.435(12) . ?
C4 Fe1 2.025(9) . ?
C4 H4 1.0000 . ?
C5 Fe1 2.026(8) . ?
C5 H5 1.0000 . ?
C6 C10 1.412(17) . ?
C6 C7 1.418(15) . ?
C6 Fe1 2.040(10) . ?
C6 H6 1.0000 . ?
C7 C8 1.374(14) . ?
C7 Fe1 2.019(9) . ?
C7 H7 1.0000 . ?
C8 C9 1.435(15) . ?
C8 Fe1 2.024(10) . ?
C8 H8 1.0000 . ?
C9 C10 1.432(18) . ?
C9 Fe1 2.026(10) . ?
C9 H9 1.0000 . ?
C10 Fe1 2.055(11) . ?
C10 H10 1.0000 . ?
C11 C12 1.519(10) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 N3 1.329(10) . ?
C12 C13 1.410(11) . ?
C13 C14 1.395(11) . ?
C13 H13 0.9500 . ?
C14 N4 1.317(10) . ?
C14 C15 1.517(11) . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C24 1.401(11) . ?
C16 C17 1.426(11) . ?
C16 N4 1.441(9) . ?
C17 C21 1.387(12) . ?
C17 C18 1.508(12) . ?
C18 C20 1.521(14) . ?
C18 C19 1.531(15) . ?
C18 H18 1.0000 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 C22 1.402(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.372(13) . ?
C22 H22 0.9500 . ?
C23 C24 1.387(11) . ?
C23 H23 0.9500 . ?
C24 C25 1.515(12) . ?
C25 C27 1.522(13) . ?
C25 C26 1.550(13) . ?
C25 H25 1.0000 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
Co1 N2 1.644(7) . ?
Co1 N1 1.701(7) . ?
Co1 N4 1.939(6) . ?
Co1 N3 1.971(6) . ?
N1 O1 1.175(9) . ?
N2 O2 1.180(9) . ?

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
N3 C1 C2 122.9(7) . . ?
N3 C1 C5 129.6(7) . . ?
C2 C1 C5 107.5(7) . . ?
N3 C1 Fe1 127.3(5) . . ?
C2 C1 Fe1 69.3(5) . . ?
C5 C1 Fe1 67.5(4) . . ?
C1 C2 C3 107.6(8) . . ?
C1 C2 Fe1 70.5(5) . . ?
C3 C2 Fe1 68.5(5) . . ?
C1 C2 H2 126.2 . . ?
C3 C2 H2 126.2 . . ?
Fe1 C2 H2 126.2 . . ?
C4 C3 C2 108.9(8) . . ?
C4 C3 Fe1 69.3(5) . . ?
C2 C3 Fe1 70.5(5) . . ?
C4 C3 H3 125.5 . . ?
C2 C3 H3 125.5 . . ?
Fe1 C3 H3 125.5 . . ?
C3 C4 C5 107.7(8) . . ?
C3 C4 Fe1 70.3(5) . . ?
C5 C4 Fe1 69.3(5) . . ?
C3 C4 H4 126.1 . . ?
C5 C4 H4 126.1 . . ?
Fe1 C4 H4 126.1 . . ?
C4 C5 C1 108.2(8) . . ?
C4 C5 Fe1 69.2(5) . . ?
C1 C5 Fe1 71.7(5) . . ?
C4 C5 H5 125.9 . . ?
C1 C5 H5 125.9 . . ?
Fe1 C5 H5 125.9 . . ?
C10 C6 C7 107.5(11) . . ?
C10 C6 Fe1 70.4(6) . . ?
C7 C6 Fe1 68.8(6) . . ?
C10 C6 H6 126.2 . . ?
C7 C6 H6 126.2 . . ?
Fe1 C6 H6 126.2 . . ?
C8 C7 C6 110.1(10) . . ?
C8 C7 Fe1 70.3(6) . . ?
C6 C7 Fe1 70.4(5) . . ?
C8 C7 H7 124.9 . . ?
C6 C7 H7 124.9 . . ?
Fe1 C7 H7 124.9 . . ?
C7 C8 C9 107.4(10) . . ?
C7 C8 Fe1 69.9(6) . . ?
C9 C8 Fe1 69.3(6) . . ?
C7 C8 H8 126.3 . . ?
C9 C8 H8 126.3 . . ?
Fe1 C8 H8 126.3 . . ?
C10 C9 C8 107.7(9) . . ?
C10 C9 Fe1 70.5(6) . . ?
C8 C9 Fe1 69.2(6) . . ?
C10 C9 H9 126.1 . . ?
C8 C9 H9 126.1 . . ?
Fe1 C9 H9 126.1 . . ?
C6 C10 C9 107.3(10) . . ?
C6 C10 Fe1 69.3(6) . . ?
C9 C10 Fe1 68.4(6) . . ?
C6 C10 H10 126.3 . . ?
C9 C10 H10 126.3 . . ?
Fe1 C10 H10 126.3 . . ?
C12 C11 H11A 109.5 . . ?
C12 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C12 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
N3 C12 C13 123.0(7) . . ?
N3 C12 C11 122.1(7) . . ?
C13 C12 C11 114.9(7) . . ?
C14 C13 C12 128.0(7) . . ?
C14 C13 H13 116.0 . . ?
C12 C13 H13 116.0 . . ?
N4 C14 C13 123.5(7) . . ?
N4 C14 C15 120.8(7) . . ?
C13 C14 C15 115.7(7) . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C24 C16 C17 121.2(7) . . ?
C24 C16 N4 120.8(7) . . ?
C17 C16 N4 117.9(7) . . ?
C21 C17 C16 117.7(8) . . ?
C21 C17 C18 121.2(8) . . ?
C16 C17 C18 121.1(7) . . ?
C17 C18 C20 112.7(8) . . ?
C17 C18 C19 112.0(9) . . ?
C20 C18 C19 110.8(9) . . ?
C17 C18 H18 107.0 . . ?
C20 C18 H18 107.0 . . ?
C19 C18 H18 107.0 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C18 C20 H20A 109.5 . . ?
C18 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C18 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C17 C21 C22 121.4(8) . . ?
C17 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C23 C22 C21 119.3(8) . . ?
C23 C22 H22 120.3 . . ?
C21 C22 H22 120.3 . . ?
C22 C23 C24 122.1(8) . . ?
C22 C23 H23 118.9 . . ?
C24 C23 H23 118.9 . . ?
C23 C24 C16 118.2(8) . . ?
C23 C24 C25 119.8(8) . . ?
C16 C24 C25 121.9(7) . . ?
C24 C25 C27 112.2(8) . . ?
C24 C25 C26 109.7(7) . . ?
C27 C25 C26 109.1(8) . . ?
C24 C25 H25 108.6 . . ?
C27 C25 H25 108.6 . . ?
C26 C25 H25 108.6 . . ?
C25 C26 H26A 109.5 . . ?
C25 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C25 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C25 C27 H27A 109.5 . . ?
C25 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C25 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
N2 Co1 N1 110.7(4) . . ?
N2 Co1 N4 110.0(3) . . ?
N1 Co1 N4 111.0(3) . . ?
N2 Co1 N3 123.8(3) . . ?
N1 Co1 N3 105.6(3) . . ?
N4 Co1 N3 94.6(3) . . ?
C7 Fe1 C8 39.7(4) . . ?
C7 Fe1 C4 105.5(4) . . ?
C8 Fe1 C4 120.4(4) . . ?
C7 Fe1 C9 68.1(4) . . ?
C8 Fe1 C9 41.5(4) . . ?
C4 Fe1 C9 158.2(5) . . ?
C7 Fe1 C5 120.5(4) . . ?
C8 Fe1 C5 105.3(4) . . ?
C4 Fe1 C5 41.5(3) . . ?
C9 Fe1 C5 122.3(5) . . ?
C7 Fe1 C3 122.6(4) . . ?
C8 Fe1 C3 156.8(4) . . ?
C4 Fe1 C3 40.4(4) . . ?
C9 Fe1 C3 160.4(5) . . ?
C5 Fe1 C3 68.6(4) . . ?
C7 Fe1 C6 40.9(4) . . ?
C8 Fe1 C6 68.5(4) . . ?
C4 Fe1 C6 121.1(4) . . ?
C9 Fe1 C6 68.6(5) . . ?
C5 Fe1 C6 157.1(4) . . ?
C3 Fe1 C6 107.8(5) . . ?
C7 Fe1 C10 68.1(4) . . ?
C8 Fe1 C10 69.2(5) . . ?
C4 Fe1 C10 157.9(5) . . ?
C9 Fe1 C10 41.1(5) . . ?
C5 Fe1 C10 160.2(5) . . ?
C3 Fe1 C10 123.8(5) . . ?
C6 Fe1 C10 40.3(5) . . ?
C7 Fe1 C2 160.2(4) . . ?
C8 Fe1 C2 159.5(4) . . ?
C4 Fe1 C2 68.8(4) . . ?
C9 Fe1 C2 124.0(4) . . ?
C5 Fe1 C2 68.6(3) . . ?
C3 Fe1 C2 41.0(3) . . ?
C6 Fe1 C2 124.6(4) . . ?
C10 Fe1 C2 109.5(4) . . ?
C7 Fe1 C1 157.3(4) . . ?
C8 Fe1 C1 122.7(4) . . ?
C4 Fe1 C1 68.9(3) . . ?
C9 Fe1 C1 108.4(4) . . ?
C5 Fe1 C1 40.9(3) . . ?
C3 Fe1 C1 68.2(3) . . ?
C6 Fe1 C1 160.8(4) . . ?
C10 Fe1 C1 125.0(4) . . ?
C2 Fe1 C1 40.2(3) . . ?
O1 N1 Co1 144.0(7) . . ?
O2 N2 Co1 168.1(7) . . ?
C12 N3 C1 121.5(6) . . ?
C12 N3 Co1 120.1(5) . . ?
C1 N3 Co1 117.2(5) . . ?
C14 N4 C16 120.6(6) . . ?
C14 N4 Co1 122.3(5) . . ?
C16 N4 Co1 116.7(5) . . ?

_diffrn_measured_fraction_theta_max 0.982
_diffrn_reflns_theta_full        25.06
_diffrn_measured_fraction_theta_full 0.982
_refine_diff_density_max         1.459
_refine_diff_density_min         -0.680
_refine_diff_density_rms         0.148
