# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_ic16900
_database_code_depnum_ccdc_archive 'CCDC 1986586'
loop_
_audit_author_name
_audit_author_address
'Gene-Hsiang Lee'
;Instrumentation Centre, College of Science, National Taiwan University
Taiwan
;
_audit_update_record             
;
2020-02-27 deposited with the CCDC.	2020-10-28 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C48 H32 Cl2 Co N4 O8'
_chemical_formula_weight         922.61

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'
Co Co 0.3494 0.9721 '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                   7.8409(4)
_cell_length_b                   12.8630(6)
_cell_length_c                   20.4373(10)
_cell_angle_alpha                88.1321(11)
_cell_angle_beta                 89.0043(11)
_cell_angle_gamma                79.0659(10)
_cell_volume                     2022.63(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    200(2)
_cell_measurement_reflns_used    6047
_cell_measurement_theta_min      2.53
_cell_measurement_theta_max      25.03

_exptl_crystal_description       plate
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.15
_exptl_crystal_density_meas      not_measured
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             946
_exptl_absorpt_coefficient_mu    0.621
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.8121
_exptl_absorpt_correction_T_max  0.9127
_exptl_absorpt_process_details   'SADABS (Bruker, 2001)'

_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  'BRUKER SMART APEXCCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            26412
_diffrn_reflns_av_R_equivalents  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0392
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_theta_min         1.00
_diffrn_reflns_theta_max         27.50
_reflns_number_total             9268
_reflns_number_gt                7669
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_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)+(0.0564P)²+1.1039P] 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         9268
_refine_ls_number_parameters     568
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0595
_refine_ls_R_factor_gt           0.0480
_refine_ls_wR_factor_ref         0.1225
_refine_ls_wR_factor_gt          0.1153
_refine_ls_goodness_of_fit_ref   1.042
_refine_ls_restrained_S_all      1.042
_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
Co Co 0.58762(4) 0.74499(2) 0.254611(14) 0.02731(9) Uani 1 1 d . . .
N1 N 0.7124(2) 0.65024(14) 0.32651(9) 0.0271(4) Uani 1 1 d . . .
N2 N 0.4097(2) 0.79330(14) 0.32552(9) 0.0275(4) Uani 1 1 d . . .
N3 N 0.6386(2) 0.86913(15) 0.20011(9) 0.0311(4) Uani 1 1 d . . .
N4 N 0.5844(2) 0.67758(14) 0.16698(9) 0.0285(4) Uani 1 1 d . . .
C1 C 0.8559(3) 0.57502(18) 0.32424(11) 0.0304(5) Uani 1 1 d . . .
C2 C 0.9099(3) 0.51055(19) 0.38001(12) 0.0368(5) Uani 1 1 d . . .
H2 H 1.0107 0.4565 0.3777 0.044 Uiso 1 1 calc R . .
C3 C 0.8182(3) 0.5254(2) 0.43717(12) 0.0388(6) Uani 1 1 d . . .
H3 H 0.8564 0.4825 0.4748 0.047 Uiso 1 1 calc R . .
C4 C 0.6675(3) 0.60376(19) 0.44075(11) 0.0338(5) Uani 1 1 d . . .
C5 C 0.5647(4) 0.6249(2) 0.49901(12) 0.0416(6) Uani 1 1 d . . .
H5 H 0.5982 0.5840 0.5378 0.050 Uiso 1 1 calc R . .
C6 C 0.4217(3) 0.7016(2) 0.50009(12) 0.0409(6) Uani 1 1 d . . .
H6 H 0.3565 0.7146 0.5396 0.049 Uiso 1 1 calc R . .
C7 C 0.3674(3) 0.7633(2) 0.44216(11) 0.0340(5) Uani 1 1 d . . .
C8 C 0.2239(3) 0.8477(2) 0.44042(12) 0.0379(5) Uani 1 1 d . . .
H8 H 0.1583 0.8664 0.4792 0.045 Uiso 1 1 calc R . .
C9 C 0.1792(3) 0.90231(19) 0.38326(12) 0.0350(5) Uani 1 1 d . . .
H9 H 0.0856 0.9613 0.3827 0.042 Uiso 1 1 calc R . .
C10 C 0.2706(3) 0.87211(17) 0.32500(11) 0.0300(5) Uani 1 1 d . . .
C11 C 0.6177(3) 0.66329(18) 0.38350(10) 0.0287(5) Uani 1 1 d . . .
C12 C 0.4608(3) 0.74174(17) 0.38351(10) 0.0284(5) Uani 1 1 d . . .
C13 C 0.9513(3) 0.55865(18) 0.26158(11) 0.0311(5) Uani 1 1 d . . .
C14 C 1.0206(3) 0.4560(2) 0.24223(13) 0.0387(6) Uani 1 1 d . . .
H14 H 1.0160 0.3974 0.2713 0.046 Uiso 1 1 calc R . .
C15 C 1.0953(4) 0.4394(2) 0.18133(14) 0.0468(6) Uani 1 1 d . . .
H15 H 1.1404 0.3692 0.1683 0.056 Uiso 1 1 calc R . .
C16 C 1.1056(4) 0.5239(2) 0.13879(14) 0.0485(7) Uani 1 1 d . . .
H16 H 1.1546 0.5114 0.0963 0.058 Uiso 1 1 calc R . .
C17 C 1.0448(3) 0.6262(2) 0.15803(12) 0.0405(6) Uani 1 1 d . . .
H17 H 1.0552 0.6844 0.1294 0.049 Uiso 1 1 calc R . .
C18 C 0.9689(3) 0.64356(19) 0.21917(11) 0.0339(5) Uani 1 1 d . . .
H18 H 0.9281 0.7140 0.2326 0.041 Uiso 1 1 calc R . .
C19 C 0.2144(3) 0.92549(19) 0.26199(11) 0.0325(5) Uani 1 1 d . . .
C20 C 0.2188(3) 0.8684(2) 0.20498(12) 0.0384(5) Uani 1 1 d . . .
H20 H 0.2576 0.7937 0.2067 0.046 Uiso 1 1 calc R . .
C21 C 0.1675(4) 0.9192(2) 0.14598(14) 0.0503(7) Uani 1 1 d . . .
H21 H 0.1712 0.8797 0.1073 0.060 Uiso 1 1 calc R . .
C22 C 0.1108(4) 1.0274(3) 0.14338(15) 0.0566(8) Uani 1 1 d . . .
H22 H 0.0761 1.0626 0.1028 0.068 Uiso 1 1 calc R . .
C23 C 0.1042(4) 1.0847(2) 0.19945(16) 0.0541(7) Uani 1 1 d . . .
H23 H 0.0650 1.1592 0.1973 0.065 Uiso 1 1 calc R . .
C24 C 0.1540(3) 1.0347(2) 0.25883(14) 0.0423(6) Uani 1 1 d . . .
H24 H 0.1470 1.0747 0.2974 0.051 Uiso 1 1 calc R . .
C25 C 0.6514(3) 0.96602(18) 0.21882(13) 0.0368(5) Uani 1 1 d . . .
C26 C 0.6609(4) 1.0472(2) 0.17180(15) 0.0515(7) Uani 1 1 d . . .
H26 H 0.6630 1.1168 0.1854 0.062 Uiso 1 1 calc R . .
C27 C 0.6672(4) 1.0260(2) 0.10687(15) 0.0560(8) Uani 1 1 d . . .
H27 H 0.6769 1.0806 0.0754 0.067 Uiso 1 1 calc R . .
C28 C 0.6596(4) 0.9239(2) 0.08621(13) 0.0446(6) Uani 1 1 d . . .
C29 C 0.6716(4) 0.8932(3) 0.01968(14) 0.0557(8) Uani 1 1 d . . .
H29 H 0.6862 0.9439 -0.0138 0.067 Uiso 1 1 calc R . .
C30 C 0.6626(4) 0.7937(3) 0.00332(13) 0.0535(7) Uani 1 1 d . . .
H30 H 0.6740 0.7749 -0.0413 0.064 Uiso 1 1 calc R . .
C31 C 0.6361(3) 0.7159(2) 0.05226(12) 0.0407(6) Uani 1 1 d . . .
C32 C 0.6297(4) 0.6105(2) 0.03930(12) 0.0468(7) Uani 1 1 d . . .
H32 H 0.6445 0.5867 -0.0043 0.056 Uiso 1 1 calc R . .
C33 C 0.6023(4) 0.5417(2) 0.08913(12) 0.0414(6) Uani 1 1 d . . .
H33 H 0.6007 0.4698 0.0803 0.050 Uiso 1 1 calc R . .
C34 C 0.5766(3) 0.57760(18) 0.15346(11) 0.0319(5) Uani 1 1 d . . .
C35 C 0.6386(3) 0.84883(19) 0.13515(11) 0.0337(5) Uani 1 1 d . . .
C36 C 0.6180(3) 0.74496(19) 0.11771(11) 0.0325(5) Uani 1 1 d . . .
C37 C 0.6552(3) 0.98120(18) 0.28998(13) 0.0360(5) Uani 1 1 d . . .
C38 C 0.5523(3) 1.0689(2) 0.31884(15) 0.0460(7) Uani 1 1 d . . .
H38 H 0.4859 1.1232 0.2922 0.055 Uiso 1 1 calc R . .
C39 C 0.5473(4) 1.0764(2) 0.38605(16) 0.0532(7) Uani 1 1 d . . .
H39 H 0.4762 1.1358 0.4055 0.064 Uiso 1 1 calc R . .
C40 C 0.6445(4) 0.9988(2) 0.42534(14) 0.0482(7) Uani 1 1 d . . .
H40 H 0.6394 1.0046 0.4716 0.058 Uiso 1 1 calc R . .
C41 C 0.7489(3) 0.9127(2) 0.39751(13) 0.0420(6) Uani 1 1 d . . .
H41 H 0.8162 0.8592 0.4244 0.050 Uiso 1 1 calc R . .
C42 C 0.7550(3) 0.90491(19) 0.33018(12) 0.0365(5) Uani 1 1 d . . .
H42 H 0.8288 0.8463 0.3110 0.044 Uiso 1 1 calc R . .
C43 C 0.5458(3) 0.50618(18) 0.20850(11) 0.0315(5) Uani 1 1 d . . .
C44 C 0.4283(3) 0.5416(2) 0.25854(12) 0.0352(5) Uani 1 1 d . . .
H44 H 0.3619 0.6115 0.2561 0.042 Uiso 1 1 calc R . .
C45 C 0.4078(4) 0.4760(2) 0.31142(12) 0.0423(6) Uani 1 1 d . . .
H45 H 0.3265 0.5005 0.3451 0.051 Uiso 1 1 calc R . .
C46 C 0.5046(4) 0.3747(2) 0.31571(13) 0.0477(7) Uani 1 1 d . . .
H46 H 0.4917 0.3302 0.3527 0.057 Uiso 1 1 calc R . .
C47 C 0.6200(4) 0.3381(2) 0.26634(14) 0.0478(7) Uani 1 1 d . . .
H47 H 0.6865 0.2682 0.2694 0.057 Uiso 1 1 calc R . .
C48 C 0.6396(3) 0.40286(19) 0.21218(12) 0.0389(6) Uani 1 1 d . . .
H48 H 0.7170 0.3767 0.1776 0.047 Uiso 1 1 calc R . .
Cl1 Cl 0.06553(8) 0.23019(5) 0.42196(3) 0.04320(16) Uani 1 1 d . . .
O1 O 0.1850(3) 0.2683(2) 0.37860(13) 0.0788(8) Uani 1 1 d . . .
O2 O 0.1344(4) 0.12541(16) 0.44335(12) 0.0759(8) Uani 1 1 d . . .
O3 O -0.0923(3) 0.2342(3) 0.38851(13) 0.0940(9) Uani 1 1 d . . .
O4 O 0.0297(3) 0.29562(16) 0.47729(11) 0.0642(6) Uani 1 1 d . . .
Cl2 Cl 0.83577(10) 0.26971(5) 0.03522(3) 0.04543(17) Uani 1 1 d . . .
O5 O 0.6737(4) 0.2730(2) 0.07089(13) 0.0845(8) Uani 1 1 d . . .
O6 O 0.8052(5) 0.3522(2) -0.01031(15) 0.1276(14) Uani 1 1 d . . .
O7 O 0.9582(5) 0.2799(3) 0.08038(18) 0.1312(15) Uani 1 1 d . . .
O8 O 0.8859(4) 0.17048(18) 0.00440(11) 0.0742(7) 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
Co N3 2.0152(19) . ?
Co N4 2.0177(18) . ?
Co N1 2.0206(18) . ?
Co N2 2.0228(18) . ?
N1 C1 1.339(3) . ?
N1 C11 1.368(3) . ?
N2 C10 1.341(3) . ?
N2 C12 1.367(3) . ?
N3 C25 1.338(3) . ?
N3 C35 1.361(3) . ?
N4 C34 1.337(3) . ?
N4 C36 1.362(3) . ?
C1 C2 1.410(3) . ?
C1 C13 1.473(3) . ?
C2 C3 1.361(3) . ?
C3 C4 1.403(3) . ?
C4 C11 1.397(3) . ?
C4 C5 1.430(3) . ?
C5 C6 1.346(4) . ?
C6 C7 1.429(3) . ?
C7 C12 1.402(3) . ?
C7 C8 1.407(3) . ?
C8 C9 1.360(3) . ?
C9 C10 1.406(3) . ?
C10 C19 1.474(3) . ?
C11 C12 1.435(3) . ?
C13 C14 1.397(3) . ?
C13 C18 1.398(3) . ?
C14 C15 1.372(4) . ?
C15 C16 1.383(4) . ?
C16 C17 1.380(4) . ?
C17 C18 1.381(3) . ?
C19 C20 1.394(3) . ?
C19 C24 1.395(3) . ?
C20 C21 1.382(4) . ?
C21 C22 1.378(4) . ?
C22 C23 1.377(4) . ?
C23 C24 1.381(4) . ?
C25 C26 1.407(4) . ?
C25 C37 1.475(4) . ?
C26 C27 1.361(4) . ?
C27 C28 1.405(4) . ?
C28 C35 1.397(3) . ?
C28 C29 1.425(4) . ?
C29 C30 1.349(4) . ?
C30 C31 1.433(4) . ?
C31 C36 1.398(3) . ?
C31 C32 1.399(4) . ?
C32 C33 1.369(4) . ?
C33 C34 1.406(3) . ?
C34 C43 1.475(3) . ?
C35 C36 1.433(3) . ?
C37 C42 1.389(3) . ?
C37 C38 1.397(4) . ?
C38 C39 1.380(4) . ?
C39 C40 1.379(4) . ?
C40 C41 1.379(4) . ?
C41 C42 1.382(4) . ?
C43 C48 1.392(3) . ?
C43 C44 1.393(3) . ?
C44 C45 1.376(3) . ?
C45 C46 1.379(4) . ?
C46 C47 1.377(4) . ?
C47 C48 1.388(4) . ?
Cl1 O2 1.412(2) . ?
Cl1 O3 1.415(3) . ?
Cl1 O1 1.421(2) . ?
Cl1 O4 1.424(2) . ?
Cl2 O7 1.370(3) . ?
Cl2 O6 1.377(3) . ?
Cl2 O8 1.426(2) . ?
Cl2 O5 1.448(3) . ?

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 Co N4 83.60(8) . . ?
N3 Co N1 134.94(8) . . ?
N4 Co N1 115.52(7) . . ?
N3 Co N2 111.07(8) . . ?
N4 Co N2 135.41(7) . . ?
N1 Co N2 84.29(7) . . ?
C1 N1 C11 119.20(19) . . ?
C1 N1 Co 130.47(15) . . ?
C11 N1 Co 110.00(14) . . ?
C10 N2 C12 119.06(19) . . ?
C10 N2 Co 130.46(15) . . ?
C12 N2 Co 109.95(14) . . ?
C25 N3 C35 119.5(2) . . ?
C25 N3 Co 129.22(17) . . ?
C35 N3 Co 110.78(15) . . ?
C34 N4 C36 119.35(19) . . ?
C34 N4 Co 129.41(15) . . ?
C36 N4 Co 110.62(15) . . ?
N1 C1 C2 120.5(2) . . ?
N1 C1 C13 118.41(19) . . ?
C2 C1 C13 121.0(2) . . ?
C3 C2 C1 120.3(2) . . ?
C2 C3 C4 120.2(2) . . ?
C11 C4 C3 117.0(2) . . ?
C11 C4 C5 119.3(2) . . ?
C3 C4 C5 123.7(2) . . ?
C6 C5 C4 121.5(2) . . ?
C5 C6 C7 120.3(2) . . ?
C12 C7 C8 116.9(2) . . ?
C12 C7 C6 119.7(2) . . ?
C8 C7 C6 123.4(2) . . ?
C9 C8 C7 120.0(2) . . ?
C8 C9 C10 120.4(2) . . ?
N2 C10 C9 120.7(2) . . ?
N2 C10 C19 118.6(2) . . ?
C9 C10 C19 120.7(2) . . ?
N1 C11 C4 122.8(2) . . ?
N1 C11 C12 117.78(19) . . ?
C4 C11 C12 119.5(2) . . ?
N2 C12 C7 122.7(2) . . ?
N2 C12 C11 117.84(19) . . ?
C7 C12 C11 119.5(2) . . ?
C14 C13 C18 118.5(2) . . ?
C14 C13 C1 119.8(2) . . ?
C18 C13 C1 121.6(2) . . ?
C15 C14 C13 120.2(2) . . ?
C14 C15 C16 120.6(2) . . ?
C17 C16 C15 120.1(2) . . ?
C16 C17 C18 119.6(2) . . ?
C17 C18 C13 120.8(2) . . ?
C20 C19 C24 118.9(2) . . ?
C20 C19 C10 121.0(2) . . ?
C24 C19 C10 120.0(2) . . ?
C21 C20 C19 120.7(2) . . ?
C22 C21 C20 119.8(3) . . ?
C23 C22 C21 120.1(3) . . ?
C22 C23 C24 120.7(3) . . ?
C23 C24 C19 119.8(3) . . ?
N3 C25 C26 120.4(2) . . ?
N3 C25 C37 116.4(2) . . ?
C26 C25 C37 123.3(2) . . ?
C27 C26 C25 120.1(3) . . ?
C26 C27 C28 120.4(2) . . ?
C35 C28 C27 116.6(2) . . ?
C35 C28 C29 118.9(3) . . ?
C27 C28 C29 124.5(2) . . ?
C30 C29 C28 121.3(2) . . ?
C29 C30 C31 121.0(3) . . ?
C36 C31 C32 116.9(2) . . ?
C36 C31 C30 118.8(3) . . ?
C32 C31 C30 124.3(2) . . ?
C33 C32 C31 120.3(2) . . ?
C32 C33 C34 119.8(2) . . ?
N4 C34 C33 120.7(2) . . ?
N4 C34 C43 117.68(19) . . ?
C33 C34 C43 121.6(2) . . ?
N3 C35 C28 122.8(2) . . ?
N3 C35 C36 117.3(2) . . ?
C28 C35 C36 119.9(2) . . ?
N4 C36 C31 122.8(2) . . ?
N4 C36 C35 117.5(2) . . ?
C31 C36 C35 119.8(2) . . ?
C42 C37 C38 118.6(2) . . ?
C42 C37 C25 120.1(2) . . ?
C38 C37 C25 121.2(2) . . ?
C39 C38 C37 119.9(3) . . ?
C40 C39 C38 120.8(3) . . ?
C41 C40 C39 120.0(3) . . ?
C40 C41 C42 119.5(3) . . ?
C41 C42 C37 121.2(2) . . ?
C48 C43 C44 119.1(2) . . ?
C48 C43 C34 119.9(2) . . ?
C44 C43 C34 121.0(2) . . ?
C45 C44 C43 120.4(2) . . ?
C44 C45 C46 120.3(3) . . ?
C47 C46 C45 120.0(2) . . ?
C46 C47 C48 120.2(3) . . ?
C47 C48 C43 119.9(2) . . ?
O2 Cl1 O3 110.48(19) . . ?
O2 Cl1 O1 110.04(14) . . ?
O3 Cl1 O1 108.50(17) . . ?
O2 Cl1 O4 109.25(14) . . ?
O3 Cl1 O4 107.94(15) . . ?
O1 Cl1 O4 110.62(16) . . ?
O7 Cl2 O6 113.6(3) . . ?
O7 Cl2 O8 109.09(18) . . ?
O6 Cl2 O8 111.24(18) . . ?
O7 Cl2 O5 106.7(2) . . ?
O6 Cl2 O5 105.9(2) . . ?
O8 Cl2 O5 110.20(15) . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        27.50
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         0.717
_refine_diff_density_min         -0.381
_refine_diff_density_rms         0.061
