# Supplementary Information (SI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2025

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 2409561'
loop_
_audit_author_name
_audit_author_address
'Ling Qin'
;Hefei University of Technology
China
;
_audit_update_record             
;
2024-12-12 deposited with the CCDC.	2025-01-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C44 H38 Br2 Co2 N4 O11'
_chemical_formula_sum            'C44 H38 Br2 Co2 N4 O11'
_chemical_formula_weight         1076.46

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Br Br -0.6763 1.2805 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_H-M_alt        'C 2/c'
_space_group_name_Hall           '-C 2yc'

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'

_cell_length_a                   16.6697(3)
_cell_length_b                   14.6638(3)
_cell_length_c                   19.3585(4)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.241(2)
_cell_angle_gamma                90.00
_cell_volume                     4694.27(16)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    3335
_cell_measurement_theta_min      0.047
_cell_measurement_theta_max      0.123

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.26
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.523
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2168
_exptl_absorpt_coefficient_mu    8.045
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_measurement_method       'four-circle diffractometer'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8769
_diffrn_reflns_av_R_equivalents  0.0486
_diffrn_reflns_av_sigmaI/netI    0.0738
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         4.03
_diffrn_reflns_theta_max         70.75
_reflns_number_total             4404
_reflns_number_gt                3335
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1298P)²+13.1282P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4404
_refine_ls_number_parameters     287
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0806
_refine_ls_R_factor_gt           0.0619
_refine_ls_wR_factor_ref         0.1820
_refine_ls_wR_factor_gt          0.1653
_refine_ls_goodness_of_fit_ref   0.847
_refine_ls_restrained_S_all      0.847
_refine_ls_shift/su_max          0.001
_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
Br1 Br 0.06343(6) 0.37711(9) 0.18880(6) 0.0911(4) Uani 1 1 d . . .
C1 C 0.3302(3) 0.4158(3) 0.2963(2) 0.0182(9) Uani 1 1 d . . .
C2 C 0.2541(2) 0.4528(3) 0.3214(2) 0.0176(9) Uani 1 1 d . . .
C3 C 0.2140(3) 0.5305(3) 0.2938(2) 0.0195(9) Uani 1 1 d . . .
H3 H 0.2315 0.5599 0.2559 0.023 Uiso 1 1 calc R . .
C4 C 0.1476(2) 0.5643(3) 0.3229(2) 0.0159(9) Uani 1 1 d . . .
C5 C 0.1212(2) 0.5199(3) 0.3798(2) 0.0184(9) Uani 1 1 d . . .
H5 H 0.0782 0.5440 0.4001 0.022 Uiso 1 1 calc R . .
C6 C 0.1586(3) 0.4395(3) 0.4065(2) 0.0191(9) Uani 1 1 d . . .
C7 C 0.2247(3) 0.4065(3) 0.3763(2) 0.0200(9) Uani 1 1 d . . .
H7 H 0.2497 0.3528 0.3930 0.024 Uiso 1 1 calc R . .
C8 C 0.1313(3) 0.3924(3) 0.4669(2) 0.0202(9) Uani 1 1 d . . .
C9 C 0.1064(3) 0.4396(3) 0.5218(2) 0.0234(10) Uani 1 1 d . . .
H9 H 0.1047 0.5030 0.5209 0.028 Uiso 1 1 calc R . .
C10 C 0.0840(3) 0.3928(3) 0.5785(2) 0.0215(10) Uani 1 1 d . . .
H10 H 0.0694 0.4263 0.6157 0.026 Uiso 1 1 calc R . .
C11 C 0.1067(3) 0.2556(3) 0.5289(2) 0.0242(10) Uani 1 1 d . . .
H11 H 0.1064 0.1922 0.5306 0.029 Uiso 1 1 calc R . .
C12 C 0.1319(3) 0.2971(3) 0.4716(2) 0.0248(10) Uani 1 1 d . . .
H12 H 0.1493 0.2621 0.4362 0.030 Uiso 1 1 calc R . .
C13 C 0.1005(2) 0.6479(3) 0.2944(2) 0.0152(9) Uani 1 1 d . . .
C14 C 0.5791(3) 0.4041(4) 0.4064(3) 0.0355(12) Uani 1 1 d . . .
H14 H 0.5977 0.4103 0.3633 0.043 Uiso 1 1 calc R . .
C15 C 0.5965(5) 0.4437(6) 0.5283(4) 0.061(2) Uani 1 1 d . . .
H15A H 0.5685 0.4985 0.5378 0.092 Uiso 1 1 calc R . .
H15B H 0.6441 0.4374 0.5614 0.092 Uiso 1 1 calc R . .
H15C H 0.5618 0.3921 0.5317 0.092 Uiso 1 1 calc R . .
C16 C 0.6911(5) 0.5014(6) 0.4500(5) 0.085(3) Uani 1 1 d . . .
H16A H 0.6994 0.5007 0.4019 0.127 Uiso 1 1 calc R . .
H16B H 0.7373 0.4754 0.4777 0.127 Uiso 1 1 calc R . .
H16C H 0.6839 0.5631 0.4645 0.127 Uiso 1 1 calc R . .
C17 C 0.1283(4) 0.3284(5) 0.1242(4) 0.0514(17) Uani 1 1 d . . .
C18 C 0.2067(4) 0.3024(6) 0.1456(4) 0.060(2) Uani 1 1 d . . .
H18 H 0.2276 0.3053 0.1924 0.073 Uiso 1 1 calc R . .
C19 C 0.2537(4) 0.2723(6) 0.0971(4) 0.0557(19) Uani 1 1 d . . .
H19 H 0.3069 0.2554 0.1116 0.067 Uiso 1 1 calc R . .
C20 C 0.2242(3) 0.2661(4) 0.0263(3) 0.0372(13) Uani 1 1 d . . .
C21 C 0.1434(3) 0.2917(4) 0.0072(3) 0.0409(14) Uani 1 1 d . . .
H21 H 0.1215 0.2882 -0.0394 0.049 Uiso 1 1 calc R . .
C22 C 0.0959(4) 0.3215(5) 0.0550(4) 0.0481(16) Uani 1 1 d . . .
H22 H 0.0422 0.3371 0.0412 0.058 Uiso 1 1 calc R . .
Co1 Co 0.45852(4) 0.26818(5) 0.33106(3) 0.0110(2) Uani 1 1 d . . .
N2 N 0.0823(2) 0.3021(3) 0.58241(18) 0.0176(8) Uani 1 1 d . . .
N4 N 0.6193(3) 0.4482(4) 0.4592(3) 0.0421(12) Uani 1 1 d . . .
O1 O 0.3588(2) 0.4521(3) 0.2472(2) 0.0410(10) Uani 1 1 d . . .
O2 O 0.3601(2) 0.3483(3) 0.33025(19) 0.0335(9) Uani 1 1 d . . .
O3 O 0.1086(2) 0.6736(2) 0.23469(16) 0.0271(8) Uani 1 1 d . . .
O4 O 0.0571(2) 0.6846(2) 0.33515(17) 0.0263(8) Uani 1 1 d . . .
O5 O 0.5204(2) 0.3562(2) 0.40881(18) 0.0307(8) Uani 1 1 d . . .
O1W O 0.5000 0.3571(3) 0.2500 0.0151(8) Uani 1 2 d S . .
H1WA H 0.4825 0.3364 0.2099 0.023 Uiso 0.50 1 d PR . .
H1WB H 0.4820 0.4108 0.2542 0.023 Uiso 0.50 1 d PR . .


_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
Br1 C17 1.894(7) . ?
C1 O1 1.236(6) . ?
C1 O2 1.257(5) . ?
C1 C2 1.515(6) . ?
C2 C7 1.400(6) . ?
C2 C3 1.394(6) . ?
C3 C4 1.393(6) . ?
C3 H3 0.9300 . ?
C4 C5 1.397(6) . ?
C4 C13 1.521(6) . ?
C5 C6 1.402(6) . ?
C5 H5 0.9300 . ?
C6 C7 1.398(6) . ?
C6 C8 1.477(6) . ?
C7 H7 0.9300 . ?
C8 C9 1.376(7) . ?
C8 C12 1.401(6) . ?
C9 C10 1.385(6) . ?
C9 H9 0.9300 . ?
C10 N2 1.332(6) . ?
C10 H10 0.9300 . ?
C11 N2 1.346(6) . ?
C11 C12 1.377(7) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 O3 1.240(5) . ?
C13 O4 1.257(5) . ?
C14 O5 1.210(7) . ?
C14 N4 1.319(7) . ?
C14 H14 0.9300 . ?
C15 N4 1.437(9) . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 N4 1.458(9) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.374(10) . ?
C17 C22 1.384(10) . ?
C18 C19 1.370(10) . ?
C18 H18 0.9300 . ?
C19 C20 1.400(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.402(8) . ?
C20 C20 1.490(13) 7 ?
C21 C22 1.362(9) . ?
C21 H21 0.9300 . ?
C22 H22 0.9300 . ?
Co1 O2 2.017(3) . ?
Co1 O4 2.043(3) 3_545 ?
Co1 O5 2.146(3) . ?
Co1 O3 2.106(3) 4_545 ?
Co1 N2 2.149(4) 7_556 ?
Co1 O1W 2.217(3) . ?
N2 Co1 2.149(4) 7_556 ?
O3 Co1 2.106(3) 4 ?
O4 Co1 2.043(3) 3_455 ?
O1W Co1 2.217(3) 2_655 ?
O1W H1WA 0.8500 . ?
O1W H1WB 0.8501 . ?

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
O1 C1 O2 125.2(4) . . ?
O1 C1 C2 120.9(4) . . ?
O2 C1 C2 113.9(4) . . ?
C7 C2 C3 119.4(4) . . ?
C7 C2 C1 117.3(4) . . ?
C3 C2 C1 123.3(4) . . ?
C4 C3 C2 120.2(4) . . ?
C4 C3 H3 119.9 . . ?
C2 C3 H3 119.9 . . ?
C5 C4 C3 119.8(4) . . ?
C5 C4 C13 117.5(4) . . ?
C3 C4 C13 122.7(4) . . ?
C4 C5 C6 120.9(4) . . ?
C4 C5 H5 119.5 . . ?
C6 C5 H5 119.5 . . ?
C7 C6 C5 118.3(4) . . ?
C7 C6 C8 120.5(4) . . ?
C5 C6 C8 121.2(4) . . ?
C6 C7 C2 121.3(4) . . ?
C6 C7 H7 119.3 . . ?
C2 C7 H7 119.3 . . ?
C9 C8 C12 116.8(4) . . ?
C9 C8 C6 122.0(4) . . ?
C12 C8 C6 121.2(4) . . ?
C8 C9 C10 120.1(5) . . ?
C8 C9 H9 120.0 . . ?
C10 C9 H9 120.0 . . ?
N2 C10 C9 123.4(4) . . ?
N2 C10 H10 118.3 . . ?
C9 C10 H10 118.3 . . ?
N2 C11 C12 123.3(5) . . ?
N2 C11 H11 118.3 . . ?
C12 C11 H11 118.3 . . ?
C11 C12 C8 119.5(4) . . ?
C11 C12 H12 120.2 . . ?
C8 C12 H12 120.2 . . ?
O3 C13 O4 126.4(4) . . ?
O3 C13 C4 118.1(4) . . ?
O4 C13 C4 115.5(4) . . ?
O5 C14 N4 126.1(5) . . ?
O5 C14 H14 117.0 . . ?
N4 C14 H14 117.0 . . ?
N4 C15 H15A 109.5 . . ?
N4 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
N4 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
N4 C16 H16A 109.5 . . ?
N4 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
N4 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C22 120.8(7) . . ?
C18 C17 Br1 120.4(6) . . ?
C22 C17 Br1 118.8(5) . . ?
C17 C18 C19 119.2(7) . . ?
C17 C18 H18 120.4 . . ?
C19 C18 H18 120.4 . . ?
C20 C19 C18 122.1(6) . . ?
C20 C19 H19 119.0 . . ?
C18 C19 H19 119.0 . . ?
C19 C20 C21 116.6(6) . . ?
C19 C20 C20 121.8(7) . 7 ?
C21 C20 C20 121.6(7) . 7 ?
C22 C21 C20 121.8(6) . . ?
C22 C21 H21 119.1 . . ?
C20 C21 H21 119.1 . . ?
C21 C22 C17 119.5(6) . . ?
C21 C22 H22 120.3 . . ?
C17 C22 H22 120.3 . . ?
O2 Co1 O4 177.84(14) . 3_545 ?
O2 Co1 O5 88.50(16) . . ?
O4 Co1 O5 91.18(15) 3_545 . ?
O2 Co1 O3 90.51(16) . 4_545 ?
O4 Co1 O3 89.53(15) 3_545 4_545 ?
O5 Co1 O3 172.65(13) . 4_545 ?
O2 Co1 N2 87.04(14) . 7_556 ?
O4 Co1 N2 90.81(14) 3_545 7_556 ?
O5 Co1 N2 85.04(14) . 7_556 ?
O3 Co1 N2 87.64(14) 4_545 7_556 ?
O2 Co1 O1W 88.73(12) . . ?
O4 Co1 O1W 93.40(12) 3_545 . ?
O5 Co1 O1W 88.70(12) . . ?
O3 Co1 O1W 98.56(11) 4_545 . ?
N2 Co1 O1W 172.53(14) 7_556 . ?
C10 N2 C11 116.8(4) . . ?
C10 N2 Co1 122.3(3) . 7_556 ?
C11 N2 Co1 120.9(3) . 7_556 ?
C14 N4 C15 122.0(5) . . ?
C14 N4 C16 120.9(6) . . ?
C15 N4 C16 117.1(6) . . ?
C1 O2 Co1 137.0(3) . . ?
C13 O3 Co1 130.7(3) . 4 ?
C13 O4 Co1 139.2(3) . 3_455 ?
C14 O5 Co1 129.9(4) . . ?
Co1 O1W Co1 107.94(18) 2_655 . ?
Co1 O1W H1WA 41.0 2_655 . ?
Co1 O1W H1WA 109.5 . . ?
Co1 O1W H1WB 139.3 2_655 . ?
Co1 O1W H1WB 109.4 . . ?
H1WA O1W H1WB 109.5 . . ?

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
O1 C1 C2 C7 178.6(5) . . . . ?
O2 C1 C2 C7 -2.5(6) . . . . ?
O1 C1 C2 C3 -2.8(7) . . . . ?
O2 C1 C2 C3 176.1(4) . . . . ?
C7 C2 C3 C4 3.2(7) . . . . ?
C1 C2 C3 C4 -175.4(4) . . . . ?
C2 C3 C4 C5 -0.2(7) . . . . ?
C2 C3 C4 C13 -179.0(4) . . . . ?
C3 C4 C5 C6 -2.4(7) . . . . ?
C13 C4 C5 C6 176.4(4) . . . . ?
C4 C5 C6 C7 2.0(7) . . . . ?
C4 C5 C6 C8 179.7(4) . . . . ?
C5 C6 C7 C2 1.0(7) . . . . ?
C8 C6 C7 C2 -176.7(4) . . . . ?
C3 C2 C7 C6 -3.6(7) . . . . ?
C1 C2 C7 C6 175.0(4) . . . . ?
C7 C6 C8 C9 139.9(5) . . . . ?
C5 C6 C8 C9 -37.7(7) . . . . ?
C7 C6 C8 C12 -38.1(7) . . . . ?
C5 C6 C8 C12 144.3(5) . . . . ?
C12 C8 C9 C10 0.4(7) . . . . ?
C6 C8 C9 C10 -177.7(4) . . . . ?
C8 C9 C10 N2 -2.4(7) . . . . ?
N2 C11 C12 C8 -1.3(8) . . . . ?
C9 C8 C12 C11 1.3(7) . . . . ?
C6 C8 C12 C11 179.5(4) . . . . ?
C5 C4 C13 O3 -161.4(4) . . . . ?
C3 C4 C13 O3 17.4(6) . . . . ?
C5 C4 C13 O4 19.2(6) . . . . ?
C3 C4 C13 O4 -162.0(4) . . . . ?
C22 C17 C18 C19 2.2(12) . . . . ?
Br1 C17 C18 C19 -176.3(6) . . . . ?
C17 C18 C19 C20 -0.7(13) . . . . ?
C18 C19 C20 C21 -0.5(11) . . . . ?
C18 C19 C20 C20 179.6(8) . . . 7 ?
C19 C20 C21 C22 0.3(10) . . . . ?
C20 C20 C21 C22 -179.8(7) 7 . . . ?
C20 C21 C22 C17 1.1(10) . . . . ?
C18 C17 C22 C21 -2.4(11) . . . . ?
Br1 C17 C22 C21 176.1(5) . . . . ?
C9 C10 N2 C11 2.4(7) . . . . ?
C9 C10 N2 Co1 -176.8(4) . . . 7_556 ?
C12 C11 N2 C10 -0.6(7) . . . . ?
C12 C11 N2 Co1 178.7(4) . . . 7_556 ?
O5 C14 N4 C15 0.1(10) . . . . ?
O5 C14 N4 C16 177.9(7) . . . . ?
O1 C1 O2 Co1 1.9(9) . . . . ?
C2 C1 O2 Co1 -177.0(4) . . . . ?
O4 Co1 O2 C1 175(4) 3_545 . . . ?
O5 Co1 O2 C1 93.0(5) . . . . ?
O3 Co1 O2 C1 -94.2(5) 4_545 . . . ?
N2 Co1 O2 C1 178.2(5) 7_556 . . . ?
O1W Co1 O2 C1 4.3(5) . . . . ?
O4 C13 O3 Co1 -13.1(7) . . . 4 ?
C4 C13 O3 Co1 167.5(3) . . . 4 ?
O3 C13 O4 Co1 22.4(8) . . . 3_455 ?
C4 C13 O4 Co1 -158.2(4) . . . 3_455 ?
N4 C14 O5 Co1 -171.6(5) . . . . ?
O2 Co1 O5 C14 -116.3(5) . . . . ?
O4 Co1 O5 C14 65.8(5) 3_545 . . . ?
O3 Co1 O5 C14 161.3(10) 4_545 . . . ?
N2 Co1 O5 C14 156.5(5) 7_556 . . . ?
O1W Co1 O5 C14 -27.6(5) . . . . ?
O2 Co1 O1W Co1 -134.79(13) . . . 2_655 ?
O4 Co1 O1W Co1 45.58(10) 3_545 . . 2_655 ?
O5 Co1 O1W Co1 136.68(10) . . . 2_655 ?
O3 Co1 O1W Co1 -44.46(11) 4_545 . . 2_655 ?
N2 Co1 O1W Co1 169.7(8) 7_556 . . 2_655 ?

_diffrn_measured_fraction_theta_max 0.973
_diffrn_reflns_theta_full        70.75
_diffrn_measured_fraction_theta_full 0.973
_refine_diff_density_max         0.782
_refine_diff_density_min         -1.639
_refine_diff_density_rms         0.106
