#------------------------------------------------------------------------------
#$Date: 2016-03-26 19:23:19 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180432 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/01/7210117.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_7210117
loop_
_publ_author_name
'Liu, Guang-Zhen'
'Li, Shi-Hui'
'Li, Xiao-Ling'
'Xin, Ling-Yun'
'Wang, Li-Ya'
_publ_section_title
;
 Three series of MOFs featuring various metal(ii)-carboxylate chains
 cross-linked by dipyridyl-typed coligands: synthesis, structure, and
 solvent-dependent luminescence
;
_journal_issue                   22
_journal_name_full               CrystEngComm
_journal_page_first              4571
_journal_paper_doi               10.1039/c3ce40109j
_journal_volume                  15
_journal_year                    2013
_chemical_formula_sum            'C57 H51 Co2 F6 N6 O10'
_chemical_formula_weight         1211.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           82
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.5676(9)
_cell_length_b                   27.5676(9)
_cell_length_c                   14.3113(10)
_cell_measurement_reflns_used    5990
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      20.03
_cell_measurement_theta_min      2.34
_cell_volume                     10876.2(9)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0831
_diffrn_reflns_av_sigmaI/netI    0.0897
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            41971
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         2.34
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.696
_exptl_absorpt_correction_T_max  0.8792
_exptl_absorpt_correction_T_min  0.7268
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.480
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             4984
_exptl_crystal_size_max          0.49
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.435
_refine_diff_density_min         -0.272
_refine_diff_density_rms         0.048
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.441(13)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     762
_refine_ls_number_reflns         10129
_refine_ls_number_restraints     123
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0783
_refine_ls_R_factor_gt           0.0465
_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)+(0.0216P)²+0.7164P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0806
_refine_ls_wR_factor_ref         0.0877
_reflns_number_gt                6644
_reflns_number_total             10129
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3ce40109j.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Tetragonal' changed to 'tetragonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      I-4
_cod_database_code               7210117
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'y, -x, -z'
'-y, x, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, -y+1/2, z+1/2'
'y+1/2, -x+1/2, -z+1/2'
'-y+1/2, x+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
_atom_site_disorder_assembly
_atom_site_disorder_group
F1 F 0.1074(2) 1.05226(19) 0.5526(4) 0.111(2) Uani 0.765(6) 1 d PDU A 1
F2 F 0.1071(3) 1.00309(19) 0.4333(4) 0.133(3) Uani 0.765(6) 1 d PDU A 1
F3 F 0.17427(19) 1.0336(2) 0.4822(6) 0.130(3) Uani 0.765(6) 1 d PDU A 1
F1' F 0.0880(4) 1.0345(7) 0.5212(16) 0.111(2) Uani 0.235(6) 1 d PD A 2
F2' F 0.1452(8) 1.0124(8) 0.4241(8) 0.133(3) Uani 0.235(6) 1 d PD A 2
F3' F 0.1635(6) 1.0474(6) 0.5553(12) 0.130(3) Uani 0.235(6) 1 d PD A 2
Co1 Co 0.10532(2) 0.79980(2) 0.92454(4) 0.03744(16) Uani 1 1 d . . .
Co2 Co 0.32250(2) 0.87331(2) 0.65272(5) 0.04213(18) Uani 1 1 d . . .
O1 O 0.12063(11) 0.84922(11) 0.8211(2) 0.0449(9) Uani 1 1 d . . .
O2 O 0.17131(12) 0.81221(12) 0.7224(2) 0.0549(10) Uani 1 1 d . . .
O3 O 0.25640(11) 0.89386(11) 0.7231(2) 0.0454(9) Uani 1 1 d . . .
O4 O 0.25403(11) 0.86520(11) 0.5791(2) 0.0463(8) Uani 1 1 d . . .
O5 O 0.34312(13) 0.83831(12) 0.4226(3) 0.0569(9) Uani 1 1 d . B .
O6 O 0.37513(11) 0.85410(11) 0.5640(3) 0.0540(9) Uani 1 1 d . B .
O7 O 0.41469(11) 0.74747(11) 0.5284(2) 0.0477(9) Uani 1 1 d . . .
O8 O 0.47311(13) 0.77516(13) 0.6200(3) 0.0737(12) Uani 1 1 d . . .
O9 O 0.12696(10) 0.74355(10) 0.8272(2) 0.0451(8) Uani 1 1 d . . .
H1W H 0.1459 0.7237 0.8544 0.068 Uiso 1 1 d R . .
H2W H 0.1439 0.7568 0.7848 0.068 Uiso 1 1 d R . .
O10 O 0.55053(17) 0.71021(19) 0.6331(4) 0.141(2) Uani 1 1 d . . .
H3W H 0.5656 0.7241 0.6775 0.211 Uiso 1 1 d R . .
H4W H 0.5268 0.7298 0.6299 0.211 Uiso 1 1 d R . .
N1 N 0.03201(14) 0.79785(13) 0.8624(3) 0.0421(10) Uani 1 1 d . . .
N3 N 0.17923(13) 0.80107(14) 0.9776(3) 0.0395(10) Uani 1 1 d . . .
N4 N 0.55124(13) 0.81789(14) 0.9099(3) 0.0431(10) Uani 1 1 d . . .
N5 N 0.08565(14) 0.86019(14) 1.0156(3) 0.0424(10) Uani 1 1 d . . .
N6 N 0.37394(15) 0.89950(14) 0.7528(3) 0.0476(11) Uani 1 1 d . . .
C1 C 0.14412(17) 0.89119(16) 0.6879(3) 0.0371(12) Uani 1 1 d . . .
C2 C 0.18357(17) 0.90698(16) 0.6364(3) 0.0406(12) Uani 1 1 d . . .
C3 C 0.17928(18) 0.94730(17) 0.5789(4) 0.0515(14) Uani 1 1 d . . .
H3 H 0.2058 0.9577 0.5440 0.062 Uiso 1 1 calc R . .
C4 C 0.1366(2) 0.97150(17) 0.5736(4) 0.0541(14) Uani 1 1 d . A .
C5 C 0.0965(2) 0.9563(2) 0.6239(4) 0.0569(15) Uani 1 1 d . . .
H5 H 0.0673 0.9731 0.6199 0.068 Uiso 1 1 calc R . .
C6 C 0.10068(18) 0.91634(18) 0.6793(4) 0.0502(14) Uani 1 1 d . . .
H6 H 0.0737 0.9056 0.7123 0.060 Uiso 1 1 calc R . .
C7 C 0.14631(17) 0.84709(18) 0.7480(4) 0.0380(12) Uani 1 1 d . . .
C8 C 0.23407(16) 0.88561(16) 0.6468(4) 0.0394(12) Uani 1 1 d . . .
C9 C 0.1324(2) 1.0162(2) 0.5120(5) 0.094(2) Uani 1 1 d DU . .
C10 C 0.42814(18) 0.84366(18) 0.4374(4) 0.0482(13) Uani 1 1 d . B .
C11 C 0.46269(17) 0.81207(17) 0.4726(3) 0.0436(13) Uani 1 1 d . . .
C12 C 0.50967(19) 0.81409(19) 0.4371(4) 0.0599(15) Uani 1 1 d . B .
H12 H 0.5335 0.7938 0.4612 0.072 Uiso 1 1 calc R . .
C13 C 0.5212(2) 0.8465(2) 0.3652(4) 0.0653(16) Uani 1 1 d D . .
C18' C 0.5057(4) 0.9232(4) 0.2862(9) 0.076(2) Uani 0.291(2) 1 d PD B 2
F4' F 0.4746(4) 0.9602(4) 0.2793(9) 0.135(2) Uani 0.291(2) 1 d PD B 2
F5' F 0.5470(3) 0.9450(5) 0.3111(8) 0.119(2) Uani 0.291(2) 1 d PD B 2
F6' F 0.5139(4) 0.9108(5) 0.1983(8) 0.124(2) Uani 0.291(2) 1 d PD B 2
C14 C 0.4878(2) 0.8787(2) 0.3312(5) 0.087(2) Uani 1 1 d D B .
C18 C 0.5698(3) 0.8476(3) 0.3270(5) 0.076(2) Uani 0.709(2) 1 d PD B 1
F4 F 0.5908(2) 0.8898(2) 0.3419(4) 0.135(2) Uani 0.709(2) 1 d PD B 1
F5 F 0.59974(18) 0.8141(2) 0.3614(4) 0.119(2) Uani 0.709(2) 1 d PD B 1
F6 F 0.57199(19) 0.8416(2) 0.2362(4) 0.124(2) Uani 0.709(2) 1 d PD B 1
C15 C 0.4413(2) 0.8765(2) 0.3683(4) 0.0755(19) Uani 1 1 d . . .
H15 H 0.4180 0.8979 0.3459 0.091 Uiso 1 1 calc R B .
C16 C 0.3774(2) 0.84489(17) 0.4759(4) 0.0456(14) Uani 1 1 d . . .
C17 C 0.44985(18) 0.77605(18) 0.5462(4) 0.0439(13) Uani 1 1 d . . .
C19 C 0.0265(2) 0.7865(2) 0.7722(4) 0.0628(16) Uani 1 1 d . . .
H19 H 0.0542 0.7805 0.7369 0.075 Uiso 1 1 calc R . .
C20 C -0.0177(2) 0.7834(2) 0.7290(4) 0.0730(19) Uani 1 1 d . . .
H20 H -0.0193 0.7756 0.6658 0.088 Uiso 1 1 calc R . .
C21 C -0.0602(2) 0.7916(2) 0.7787(5) 0.0623(16) Uani 1 1 d . . .
C22 C -0.05491(19) 0.80407(18) 0.8704(4) 0.0548(15) Uani 1 1 d . . .
H22 H -0.0820 0.8111 0.9067 0.066 Uiso 1 1 calc R . .
C23 C -0.00941(18) 0.80618(16) 0.9085(4) 0.0482(13) Uani 1 1 d . . .
H23 H -0.0071 0.8140 0.9715 0.058 Uiso 1 1 calc R . .
C24 C -0.11036(19) 0.7873(2) 0.7332(5) 0.0778(19) Uani 1 1 d . . .
H24A H -0.1112 0.7584 0.6946 0.093 Uiso 1 1 calc R . .
H24B H -0.1347 0.7837 0.7816 0.093 Uiso 1 1 calc R . .
C25 C -0.12243(18) 0.8300(2) 0.6750(4) 0.0695(18) Uani 1 1 d . . .
H25A H -0.0961 0.8358 0.6315 0.083 Uiso 1 1 calc R . .
H25B H -0.1252 0.8583 0.7150 0.083 Uiso 1 1 calc R . .
C26 C -0.16947(17) 0.8241(2) 0.6200(4) 0.0657(17) Uani 1 1 d . . .
H26A H -0.1722 0.8508 0.5763 0.079 Uiso 1 1 calc R . .
H26B H -0.1675 0.7944 0.5838 0.079 Uiso 1 1 calc R . .
C27 C -0.27523(18) 0.86108(18) 0.7730(3) 0.0458(13) Uani 1 1 d . . .
H27 H -0.2855 0.8890 0.8036 0.055 Uiso 1 1 calc R . .
C28 C -0.23224(17) 0.8624(2) 0.7265(4) 0.0525(14) Uani 1 1 d . . .
H28 H -0.2142 0.8909 0.7266 0.063 Uiso 1 1 calc R . .
C29 C -0.21484(17) 0.8225(2) 0.6791(3) 0.0479(14) Uani 1 1 d . . .
C30 C -0.24339(18) 0.78120(19) 0.6855(3) 0.0490(13) Uani 1 1 d . . .
H30 H -0.2333 0.7526 0.6569 0.059 Uiso 1 1 calc R . .
C31 C -0.28639(18) 0.78210(18) 0.7337(3) 0.0471(13) Uani 1 1 d . . .
H31 H -0.3047 0.7538 0.7365 0.056 Uiso 1 1 calc R . .
N2 N -0.30339(14) 0.82194(15) 0.7771(3) 0.0428(10) Uani 1 1 d . . .
C33 C 0.20992(17) 0.83730(17) 0.9635(3) 0.0448(13) Uani 1 1 d . . .
H33 H 0.1989 0.8645 0.9315 0.054 Uiso 1 1 calc R . .
C34 C 0.25757(17) 0.83654(18) 0.9940(4) 0.0503(14) Uani 1 1 d . . .
H34 H 0.2775 0.8631 0.9828 0.060 Uiso 1 1 calc R . .
C35 C 0.27568(17) 0.79675(19) 1.0407(3) 0.0442(13) Uani 1 1 d . . .
C36 C 0.24431(17) 0.75865(19) 1.0531(3) 0.0483(14) Uani 1 1 d . . .
H36 H 0.2546 0.7306 1.0832 0.058 Uiso 1 1 calc R . .
C37 C 0.19765(17) 0.76227(18) 1.0208(3) 0.0471(13) Uani 1 1 d . . .
H37 H 0.1773 0.7357 1.0296 0.057 Uiso 1 1 calc R . .
C38 C 0.32674(17) 0.7931(2) 1.0778(4) 0.0688(17) Uani 1 1 d . . .
H38A H 0.3315 0.7603 1.1006 0.083 Uiso 1 1 calc R . .
H38B H 0.3293 0.8147 1.1312 0.083 Uiso 1 1 calc R . .
C39 C 0.36853(15) 0.80483(18) 1.0115(4) 0.0498(14) Uani 1 1 d D . .
H39A H 0.3653 0.7857 0.9550 0.060 Uiso 1 1 calc R . .
H39B H 0.3673 0.8388 0.9943 0.060 Uiso 1 1 calc R . .
C40 C 0.41641(17) 0.7939(2) 1.0574(4) 0.080(2) Uani 1 1 d D . .
H40A H 0.4167 0.7598 1.0737 0.096 Uiso 1 1 calc R . .
H40B H 0.4178 0.8121 1.1154 0.096 Uiso 1 1 calc R . .
C41 C 0.51132(19) 0.80588(18) 0.8639(4) 0.0557(15) Uani 1 1 d . . .
H41 H 0.5131 0.8017 0.7995 0.067 Uiso 1 1 calc R . .
C42 C 0.46681(18) 0.7993(2) 0.9079(4) 0.0611(16) Uani 1 1 d . . .
H42 H 0.4398 0.7911 0.8723 0.073 Uiso 1 1 calc R . .
C43 C 0.46206(16) 0.80459(19) 1.0032(4) 0.0487(14) Uani 1 1 d D . .
C44 C 0.50308(19) 0.81638(19) 1.0485(4) 0.0635(17) Uani 1 1 d . . .
H44 H 0.5022 0.8203 1.1130 0.076 Uiso 1 1 calc R . .
C45 C 0.54616(19) 0.8228(2) 1.0021(4) 0.0644(17) Uani 1 1 d . . .
H45 H 0.5734 0.8310 1.0371 0.077 Uiso 1 1 calc R . .
C46 C 0.09278(16) 0.90600(18) 0.9913(4) 0.0453(14) Uani 1 1 d . . .
H46 H 0.1076 0.9122 0.9342 0.054 Uiso 1 1 calc R . .
C47 C 0.07933(18) 0.94509(19) 1.0462(4) 0.0583(16) Uani 1 1 d . . .
H47 H 0.0850 0.9766 1.0258 0.070 Uiso 1 1 calc R . .
C48 C 0.05751(18) 0.9369(2) 1.1313(4) 0.0576(16) Uani 1 1 d D . .
C49 C 0.05016(18) 0.8896(2) 1.1567(4) 0.0568(15) Uani 1 1 d . . .
H49 H 0.0351 0.8827 1.2132 0.068 Uiso 1 1 calc R . .
C50 C 0.06473(19) 0.8525(2) 1.0999(4) 0.0568(15) Uani 1 1 d . . .
H50 H 0.0601 0.8207 1.1200 0.068 Uiso 1 1 calc R . .
C51 C 0.0413(3) 0.9789(2) 1.1915(5) 0.104(2) Uani 1 1 d DU . .
H51A H 0.0693 0.9886 1.2267 0.124 Uiso 1 1 d R . .
H51B H 0.0184 0.9657 1.2353 0.124 Uiso 1 1 d R . .
C52 C 0.0195(4) 1.0206(3) 1.1543(8) 0.072(3) Uani 0.50 1 d PDU . .
H52A H 0.0116 1.0423 1.2044 0.108 Uiso 0.50 1 d PR . .
H52B H 0.0427 1.0357 1.1136 0.108 Uiso 0.50 1 d PR . .
C53 C 0.3606(2) 0.9251(2) 0.8276(4) 0.0615(16) Uani 1 1 d . . .
H53 H 0.3276 0.9291 0.8386 0.074 Uiso 1 1 calc R . .
C54 C 0.3927(3) 0.9459(2) 0.8896(4) 0.0753(19) Uani 1 1 d . . .
H54 H 0.3814 0.9649 0.9388 0.090 Uiso 1 1 calc R . .
C55 C 0.4412(2) 0.9383(2) 0.8775(4) 0.0682(18) Uani 1 1 d D . .
C56 C 0.4555(2) 0.91230(19) 0.8013(4) 0.0634(17) Uani 1 1 d . . .
H56 H 0.4883 0.9072 0.7898 0.076 Uiso 1 1 calc R . .
C57 C 0.42138(19) 0.89386(18) 0.7418(4) 0.0538(15) Uani 1 1 d . . .
H57 H 0.4321 0.8762 0.6904 0.065 Uiso 1 1 calc R . .
C58 C 0.4762(3) 0.9596(3) 0.9482(5) 0.125(3) Uani 1 1 d DU . .
H58A H 0.4884 0.9334 0.9857 0.150 Uiso 1 1 d R . .
H58B H 0.4583 0.9811 0.9881 0.150 Uiso 1 1 d R . .
C59 C 0.5160(4) 0.9854(5) 0.9037(9) 0.109(5) Uani 0.50 1 d PDU . .
H59A H 0.5365 0.9978 0.9525 0.164 Uiso 0.50 1 d PR . .
H59B H 0.5343 0.9638 0.8648 0.164 Uiso 0.50 1 d PR . .
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'
Co Co 0.3494 0.9721 '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'
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
O7 Co1 O1 176.03(13) 6_565 .
O7 Co1 O9 94.87(12) 6_565 .
O1 Co1 O9 87.43(12) . .
O7 Co1 N3 90.53(14) 6_565 .
O1 Co1 N3 92.77(14) . .
O9 Co1 N3 88.74(13) . .
O7 Co1 N5 89.16(14) 6_565 .
O1 Co1 N5 88.58(14) . .
O9 Co1 N5 175.93(14) . .
N3 Co1 N5 90.68(14) . .
O7 Co1 N1 91.74(14) 6_565 .
O1 Co1 N1 85.06(13) . .
O9 Co1 N1 88.60(13) . .
N3 Co1 N1 176.64(15) . .
N5 Co1 N1 91.83(14) . .
O6 Co2 N6 91.93(16) . .
O6 Co2 O3 168.20(14) . .
N6 Co2 O3 99.10(15) . .
O6 Co2 O4 107.18(14) . .
N6 Co2 O4 159.11(14) . .
O3 Co2 O4 61.31(12) . .
O6 Co2 N2 93.64(15) . 7_456
N6 Co2 N2 89.70(15) . 7_456
O3 Co2 N2 90.64(14) . 7_456
O4 Co2 N2 97.26(14) . 7_456
O6 Co2 N4 91.88(14) . 7_466
N6 Co2 N4 89.56(15) . 7_466
O3 Co2 N4 84.05(13) . 7_466
O4 Co2 N4 81.61(13) . 7_466
N2 Co2 N4 174.45(16) 7_456 7_466
O6 Co2 C8 137.15(17) . .
N6 Co2 C8 129.20(18) . .
O3 Co2 C8 31.13(14) . .
O4 Co2 C8 30.43(14) . .
N2 Co2 C8 97.52(15) 7_456 .
N4 Co2 C8 78.74(14) 7_466 .
C7 O1 Co1 132.8(3) . .
C8 O3 Co2 87.7(3) . .
C8 O4 Co2 87.7(3) . .
C16 O6 Co2 135.2(4) . .
C17 O7 Co1 137.9(3) . 6_564
Co1 O9 H1W 109.6 . .
Co1 O9 H2W 107.6 . .
H1W O9 H2W 105.4 . .
H3W O10 H4W 97.5 . .
C19 N1 C23 114.8(5) . .
C19 N1 Co1 119.9(4) . .
C23 N1 Co1 125.3(3) . .
C33 N3 C37 115.6(4) . .
C33 N3 Co1 123.9(3) . .
C37 N3 Co1 120.3(3) . .
C41 N4 C45 115.4(4) . .
C41 N4 Co2 125.4(3) . 8_656
C45 N4 Co2 118.8(3) . 8_656
C46 N5 C50 116.6(5) . .
C46 N5 Co1 122.3(3) . .
C50 N5 Co1 121.2(4) . .
C57 N6 C53 115.4(5) . .
C57 N6 Co2 122.3(4) . .
C53 N6 Co2 122.2(4) . .
C2 C1 C6 118.2(5) . .
C2 C1 C7 122.2(4) . .
C6 C1 C7 119.5(4) . .
C1 C2 C3 120.1(4) . .
C1 C2 C8 123.1(4) . .
C3 C2 C8 116.5(4) . .
C4 C3 C2 120.1(5) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 121.0(5) . .
C3 C4 C9 119.8(5) . .
C5 C4 C9 119.1(5) . .
C6 C5 C4 118.7(5) . .
C6 C5 H5 120.6 . .
C4 C5 H5 120.6 . .
C5 C6 C1 121.9(5) . .
C5 C6 H6 119.1 . .
C1 C6 H6 119.1 . .
O2 C7 O1 126.3(5) . .
O2 C7 C1 119.0(5) . .
O1 C7 C1 114.6(4) . .
O4 C8 O3 122.2(4) . .
O4 C8 C2 120.2(5) . .
O3 C8 C2 117.2(4) . .
O4 C8 Co2 61.8(2) . .
O3 C8 Co2 61.1(2) . .
C2 C8 Co2 164.6(3) . .
F2' C9 F3 58.9(9) . .
F2' C9 F1' 111.9(8) . .
F3 C9 F1' 134.4(11) . .
F2' C9 F1 127.8(12) . .
F3 C9 F1 108.7(6) . .
F1' C9 F1 37.3(8) . .
F2' C9 F3' 108.5(8) . .
F3 C9 F3' 50.8(7) . .
F1' C9 F3' 107.2(7) . .
F1 C9 F3' 70.0(8) . .
F2' C9 F2 47.8(9) . .
F3 C9 F2 105.9(6) . .
F1' C9 F2 73.4(9) . .
F1 C9 F2 106.9(5) . .
F3' C9 F2 149.1(10) . .
F2' C9 C4 118.0(10) . .
F3 C9 C4 114.5(5) . .
F1' C9 C4 108.6(10) . .
F1 C9 C4 112.9(6) . .
F3' C9 C4 101.6(9) . .
F2 C9 C4 107.4(5) . .
C15 C10 C11 119.3(5) . .
C15 C10 C16 119.3(5) . .
C11 C10 C16 121.3(5) . .
C10 C11 C12 118.8(5) . .
C10 C11 C17 120.8(5) . .
C12 C11 C17 120.4(5) . .
C13 C12 C11 120.3(5) . .
C13 C12 H12 119.8 . .
C11 C12 H12 119.8 . .
C14 C13 C12 121.6(5) . .
C14 C13 C18 118.3(6) . .
C12 C13 C18 120.0(6) . .
F6' C18' F5' 103.0(8) . .
F6' C18' F4' 103.7(8) . .
F5' C18' F4' 102.9(8) . .
F6' C18' C14 104.9(10) . .
F5' C18' C14 123.0(11) . .
F4' C18' C14 116.9(11) . .
F6' C18' F4' 69.4(8) . 8_655
F5' C18' F4' 52.3(7) . 8_655
F4' C18' F4' 73.6(9) . 8_655
C14 C18' F4' 169.3(8) . 8_655
C18' F4' F5' 107.7(8) . 7_465
C18' F4' C18' 150.9(8) . 7_465
F5' F4' C18' 43.2(5) 7_465 7_465
C18' F5' F4' 84.5(9) . 8_655
C13 C14 C15 117.1(6) . .
C13 C14 C18' 118.1(7) . .
C15 C14 C18' 120.9(7) . .
F6 C18 F4 104.5(6) . .
F6 C18 F5 104.5(6) . .
F4 C18 F5 106.2(6) . .
F6 C18 C13 114.6(7) . .
F4 C18 C13 111.3(7) . .
F5 C18 C13 114.9(6) . .
C14 C15 C10 122.8(6) . .
C14 C15 H15 118.6 . .
C10 C15 H15 118.6 . .
O5 C16 O6 126.8(5) . .
O5 C16 C10 119.0(5) . .
O6 C16 C10 114.2(5) . .
O8 C17 O7 123.6(5) . .
O8 C17 C11 119.6(5) . .
O7 C17 C11 116.8(5) . .
N1 C19 C20 123.6(5) . .
N1 C19 H19 118.2 . .
C20 C19 H19 118.2 . .
C19 C20 C21 120.6(5) . .
C19 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
C22 C21 C20 116.3(5) . .
C22 C21 C24 121.6(6) . .
C20 C21 C24 122.1(6) . .
C21 C22 C23 119.4(5) . .
C21 C22 H22 120.3 . .
C23 C22 H22 120.3 . .
N1 C23 C22 125.3(5) . .
N1 C23 H23 117.3 . .
C22 C23 H23 117.3 . .
C25 C24 C21 112.4(5) . .
C25 C24 H24A 109.1 . .
C21 C24 H24A 109.1 . .
C25 C24 H24B 109.1 . .
C21 C24 H24B 109.1 . .
H24A C24 H24B 107.9 . .
C24 C25 C26 113.4(5) . .
C24 C25 H25A 108.9 . .
C26 C25 H25A 108.9 . .
C24 C25 H25B 108.9 . .
C26 C25 H25B 108.9 . .
H25A C25 H25B 107.7 . .
C29 C26 C25 114.7(4) . .
C29 C26 H26A 108.6 . .
C25 C26 H26A 108.6 . .
C29 C26 H26B 108.6 . .
C25 C26 H26B 108.6 . .
H26A C26 H26B 107.6 . .
N2 C27 C28 123.5(5) . .
N2 C27 H27 118.2 . .
C28 C27 H27 118.2 . .
C27 C28 C29 121.5(5) . .
C27 C28 H28 119.3 . .
C29 C28 H28 119.3 . .
C28 C29 C30 115.1(5) . .
C28 C29 C26 122.7(5) . .
C30 C29 C26 122.1(5) . .
C31 C30 C29 120.6(5) . .
C31 C30 H30 119.7 . .
C29 C30 H30 119.7 . .
N2 C31 C30 123.2(5) . .
N2 C31 H31 118.4 . .
C30 C31 H31 118.4 . .
C27 N2 C31 116.0(4) . .
C27 N2 Co2 122.2(3) . 8_556
C31 N2 Co2 121.9(3) . 8_556
N3 C33 C34 123.1(5) . .
N3 C33 H33 118.4 . .
C34 C33 H33 118.4 . .
C35 C34 C33 120.6(5) . .
C35 C34 H34 119.7 . .
C33 C34 H34 119.7 . .
C36 C35 C34 116.3(5) . .
C36 C35 C38 119.5(5) . .
C34 C35 C38 124.2(5) . .
C37 C36 C35 119.5(5) . .
C37 C36 H36 120.3 . .
C35 C36 H36 120.3 . .
N3 C37 C36 124.8(5) . .
N3 C37 H37 117.6 . .
C36 C37 H37 117.6 . .
C35 C38 C39 118.2(5) . .
C35 C38 H38A 107.8 . .
C39 C38 H38A 107.8 . .
C35 C38 H38B 107.8 . .
C39 C38 H38B 107.8 . .
H38A C38 H38B 107.1 . .
C40 C39 C38 110.4(4) . .
C40 C39 H39A 109.6 . .
C38 C39 H39A 109.6 . .
C40 C39 H39B 109.6 . .
C38 C39 H39B 109.6 . .
H39A C39 H39B 108.1 . .
C39 C40 C43 117.9(4) . .
C39 C40 H40A 107.8 . .
C43 C40 H40A 107.8 . .
C39 C40 H40B 107.8 . .
C43 C40 H40B 107.8 . .
H40A C40 H40B 107.2 . .
N4 C41 C42 122.8(5) . .
N4 C41 H41 118.6 . .
C42 C41 H41 118.6 . .
C43 C42 C41 121.2(5) . .
C43 C42 H42 119.4 . .
C41 C42 H42 119.4 . .
C44 C43 C42 115.0(5) . .
C44 C43 C40 120.1(5) . .
C42 C43 C40 124.6(5) . .
C43 C44 C45 121.8(5) . .
C43 C44 H44 119.1 . .
C45 C44 H44 119.1 . .
N4 C45 C44 123.8(5) . .
N4 C45 H45 118.1 . .
C44 C45 H45 118.1 . .
N5 C46 C47 123.6(5) . .
N5 C46 H46 118.2 . .
C47 C46 H46 118.2 . .
C48 C47 C46 119.4(5) . .
C48 C47 H47 120.3 . .
C46 C47 H47 120.3 . .
C49 C48 C47 117.1(5) . .
C49 C48 C51 122.4(5) . .
C47 C48 C51 120.5(5) . .
C48 C49 C50 120.8(5) . .
C48 C49 H49 119.6 . .
C50 C49 H49 119.6 . .
N5 C50 C49 122.4(5) . .
N5 C50 H50 118.8 . .
C49 C50 H50 118.8 . .
C52 C51 C48 122.6(7) . .
C52 C51 C52 58.0(8) . 2_575
C48 C51 C52 96.7(5) . 2_575
C52 C51 H51A 108.3 . .
C48 C51 H51A 106.0 . .
C52 C51 H51A 157.3 2_575 .
C52 C51 H51B 106.1 . .
C48 C51 H51B 106.0 . .
C52 C51 H51B 64.9 2_575 .
H51A C51 H51B 106.9 . .
C51 C52 C52 72.5(7) . 2_575
C51 C52 C51 107.5(8) . 2_575
C52 C52 C51 49.5(5) 2_575 2_575
C51 C52 H52A 109.1 . .
C52 C52 H52A 107.2 2_575 .
C51 C52 H52A 63.3 2_575 .
C51 C52 H52B 107.6 . .
C52 C52 H52B 140.6 2_575 .
C51 C52 H52B 144.4 2_575 .
H52A C52 H52B 109.5 . .
N6 C53 C54 124.1(5) . .
N6 C53 H53 118.0 . .
C54 C53 H53 118.0 . .
C55 C54 C53 118.9(6) . .
C55 C54 H54 120.6 . .
C53 C54 H54 120.6 . .
C56 C55 C54 117.7(5) . .
C56 C55 C58 123.6(6) . .
C54 C55 C58 118.7(6) . .
C55 C56 C57 119.7(6) . .
C55 C56 H56 120.1 . .
C57 C56 H56 120.1 . .
N6 C57 C56 124.1(5) . .
N6 C57 H57 118.0 . .
C56 C57 H57 118.0 . .
C59 C58 C55 112.2(8) . .
C59 C58 C59 44.5(9) . 2_675
C55 C58 C59 100.4(6) . 2_675
C59 C58 H58A 110.4 . .
C55 C58 H58A 107.8 . .
C59 C58 H58A 148.9 2_675 .
C59 C58 H58B 110.2 . .
C55 C58 H58B 108.0 . .
C59 C58 H58B 74.3 2_675 .
H58A C58 H58B 108.2 . .
C59 C59 C58 76.7(10) 2_675 .
C59 C59 C58 58.8(9) 2_675 2_675
C58 C59 C58 112.2(9) . 2_675
C59 C59 H59A 101.4 2_675 .
C58 C59 H59A 107.4 . .
C58 C59 H59A 47.3 2_675 .
C59 C59 H59B 143.8 2_675 .
C58 C59 H59B 110.2 . .
C58 C59 H59B 136.3 2_675 .
H59A C59 H59B 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
F1 C9 1.340(6) .
F2 C9 1.373(6) .
F3 C9 1.321(6) .
F1' C9 1.330(8) .
F2' C9 1.312(8) .
F3' C9 1.362(8) .
Co1 O7 2.052(3) 6_565
Co1 O1 2.055(3) .
Co1 O9 2.168(3) .
Co1 N3 2.175(4) .
Co1 N5 2.182(4) .
Co1 N1 2.209(4) .
Co2 O6 1.999(3) .
Co2 N6 2.141(4) .
Co2 O3 2.158(3) .
Co2 O4 2.173(3) .
Co2 N2 2.173(4) 7_456
Co2 N4 2.268(4) 7_466
Co2 C8 2.463(5) .
O1 C7 1.265(5) .
O2 C7 1.239(5) .
O3 C8 1.274(5) .
O4 C8 1.248(5) .
O5 C16 1.229(6) .
O6 C16 1.288(6) .
O7 C17 1.275(5) .
O7 Co1 2.052(3) 6_564
O8 C17 1.235(5) .
O9 H1W 0.8499 .
O9 H2W 0.8500 .
O10 H3W 0.8501 .
O10 H4W 0.8497 .
N1 C19 1.335(6) .
N1 C23 1.339(5) .
N3 C33 1.325(5) .
N3 C37 1.336(5) .
N4 C41 1.324(6) .
N4 C45 1.334(6) .
N4 Co2 2.268(4) 8_656
N5 C46 1.324(5) .
N5 C50 1.355(6) .
N6 C57 1.326(6) .
N6 C53 1.333(6) .
C1 C2 1.384(6) .
C1 C6 1.389(6) .
C1 C7 1.491(6) .
C2 C3 1.388(6) .
C2 C8 1.519(6) .
C3 C4 1.356(6) .
C3 H3 0.9300 .
C4 C5 1.383(7) .
C4 C9 1.520(8) .
C5 C6 1.363(6) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C10 C15 1.389(7) .
C10 C11 1.385(6) .
C10 C16 1.503(6) .
C11 C12 1.393(6) .
C11 C17 1.490(7) .
C12 C13 1.399(7) .
C12 H12 0.9300 .
C13 C14 1.367(8) .
C13 C18 1.448(9) .
C18' F6' 1.322(8) .
C18' F5' 1.334(8) .
C18' F4' 1.336(8) .
C18' C14 1.472(11) .
C18' F4' 1.941(17) 8_655
F4' F5' 1.542(17) 7_465
F4' C18' 1.941(17) 7_465
F5' F4' 1.542(17) 8_655
C14 C15 1.389(7) .
C18 F6 1.311(7) .
C18 F4 1.318(6) .
C18 F5 1.333(6) .
C15 H15 0.9300 .
C19 C20 1.369(7) .
C19 H19 0.9300 .
C20 C21 1.389(7) .
C20 H20 0.9300 .
C21 C22 1.365(7) .
C21 C24 1.533(7) .
C22 C23 1.369(6) .
C22 H22 0.9300 .
C23 H23 0.9300 .
C24 C25 1.480(7) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.526(7) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 C29 1.510(6) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 N2 1.331(5) .
C27 C28 1.360(6) .
C27 H27 0.9300 .
C28 C29 1.380(6) .
C28 H28 0.9300 .
C29 C30 1.387(6) .
C30 C31 1.372(6) .
C30 H30 0.9300 .
C31 N2 1.346(6) .
C31 H31 0.9300 .
N2 Co2 2.173(4) 8_556
C33 C34 1.385(6) .
C33 H33 0.9300 .
C34 C35 1.379(6) .
C34 H34 0.9300 .
C35 C36 1.372(6) .
C35 C38 1.507(6) .
C36 C37 1.371(6) .
C36 H36 0.9300 .
C37 H37 0.9300 .
C38 C39 1.526(6) .
C38 H38A 0.9700 .
C38 H38B 0.9700 .
C39 C40 1.504(6) .
C39 H39A 0.9700 .
C39 H39B 0.9700 .
C40 C43 1.508(6) .
C40 H40A 0.9700 .
C40 H40B 0.9700 .
C41 C42 1.391(6) .
C41 H41 0.9300 .
C42 C43 1.378(7) .
C42 H42 0.9300 .
C43 C44 1.343(6) .
C44 C45 1.371(6) .
C44 H44 0.9300 .
C45 H45 0.9300 .
C46 C47 1.384(6) .
C46 H46 0.9300 .
C47 C48 1.377(7) .
C47 H47 0.9300 .
C48 C49 1.368(7) .
C48 C51 1.510(5) .
C49 C50 1.367(6) .
C49 H49 0.9300 .
C50 H50 0.9300 .
C51 C52 1.401(8) .
C51 C52 1.758(12) 2_575
C51 H51A 0.9600 .
C51 H51B 0.9599 .
C52 C52 1.56(2) 2_575
C52 C51 1.758(12) 2_575
C52 H52A 0.9600 .
C52 H52B 0.9599 .
C53 C54 1.378(7) .
C53 H53 0.9300 .
C54 C55 1.365(8) .
C54 H54 0.9300 .
C55 C56 1.364(8) .
C55 C58 1.515(7) .
C56 C57 1.365(7) .
C56 H56 0.9300 .
C57 H57 0.9300 .
C58 C59 1.456(9) .
C58 C59 1.658(15) 2_675
C58 H58A 0.9599 .
C58 H58B 0.9601 .
C59 C59 1.19(2) 2_675
C59 C58 1.658(15) 2_675
C59 H59A 0.9600 .
C59 H59B 0.9599 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O9 H1W O5 0.85 1.99 2.764(4) 150.5 6_565
O9 H2W O2 0.85 1.92 2.707(4) 152.9 .
O10 H3W O3 0.85 2.02 2.865(5) 175.5 8_656
O10 H4W O8 0.85 1.94 2.792(6) 178.7 .
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_4
O7 Co1 O1 C7 -145.4(18) 6_565 .
O9 Co1 O1 C7 -20.0(4) . .
N3 Co1 O1 C7 68.6(4) . .
N5 Co1 O1 C7 159.2(4) . .
N1 Co1 O1 C7 -108.8(4) . .
O6 Co2 O3 C8 7.7(8) . .
N6 Co2 O3 C8 166.6(3) . .
O4 Co2 O3 C8 -5.6(2) . .
N2 Co2 O3 C8 -103.6(3) 7_456 .
N4 Co2 O3 C8 78.0(3) 7_466 .
O6 Co2 O4 C8 -171.4(2) . .
N6 Co2 O4 C8 -16.1(5) . .
O3 Co2 O4 C8 5.8(2) . .
N2 Co2 O4 C8 92.5(3) 7_456 .
N4 Co2 O4 C8 -82.0(3) 7_466 .
N6 Co2 O6 C16 -160.9(5) . .
O3 Co2 O6 C16 -1.7(10) . .
O4 Co2 O6 C16 10.6(5) . .
N2 Co2 O6 C16 109.3(5) 7_456 .
N4 Co2 O6 C16 -71.2(5) 7_466 .
C8 Co2 O6 C16 4.2(5) . .
O7 Co1 N1 C19 -125.7(4) 6_565 .
O1 Co1 N1 C19 56.7(4) . .
O9 Co1 N1 C19 -30.9(4) . .
N3 Co1 N1 C19 7(3) . .
N5 Co1 N1 C19 145.1(4) . .
O7 Co1 N1 C23 52.7(4) 6_565 .
O1 Co1 N1 C23 -125.0(4) . .
O9 Co1 N1 C23 147.5(4) . .
N3 Co1 N1 C23 -175(31) . .
N5 Co1 N1 C23 -36.6(4) . .
O7 Co1 N3 C33 -155.6(4) 6_565 .
O1 Co1 N3 C33 22.2(4) . .
O9 Co1 N3 C33 109.5(4) . .
N5 Co1 N3 C33 -66.4(4) . .
N1 Co1 N3 C33 72(3) . .
O7 Co1 N3 C37 30.2(4) 6_565 .
O1 Co1 N3 C37 -152.0(3) . .
O9 Co1 N3 C37 -64.7(4) . .
N5 Co1 N3 C37 119.3(4) . .
N1 Co1 N3 C37 -102(3) . .
O7 Co1 N5 C46 175.8(4) 6_565 .
O1 Co1 N5 C46 -7.4(4) . .
O9 Co1 N5 C46 3(2) . .
N3 Co1 N5 C46 85.3(4) . .
N1 Co1 N5 C46 -92.5(4) . .
O7 Co1 N5 C50 -5.1(4) 6_565 .
O1 Co1 N5 C50 171.6(4) . .
O9 Co1 N5 C50 -177(32) . .
N3 Co1 N5 C50 -95.6(4) . .
N1 Co1 N5 C50 86.6(4) . .
O6 Co2 N6 C57 -6.3(4) . .
O3 Co2 N6 C57 177.9(4) . .
O4 Co2 N6 C57 -162.8(4) . .
N2 Co2 N6 C57 87.3(4) 7_456 .
N4 Co2 N6 C57 -98.2(4) 7_466 .
C8 Co2 N6 C57 -173.2(3) . .
O6 Co2 N6 C53 169.6(4) . .
O3 Co2 N6 C53 -6.1(4) . .
O4 Co2 N6 C53 13.2(7) . .
N2 Co2 N6 C53 -96.7(4) 7_456 .
N4 Co2 N6 C53 77.8(4) 7_466 .
C8 Co2 N6 C53 2.7(5) . .
C6 C1 C2 C3 0.8(7) . .
C7 C1 C2 C3 177.8(4) . .
C6 C1 C2 C8 173.9(5) . .
C7 C1 C2 C8 -9.1(7) . .
C1 C2 C3 C4 0.4(8) . .
C8 C2 C3 C4 -173.1(5) . .
C2 C3 C4 C5 -0.8(8) . .
C2 C3 C4 C9 178.7(5) . .
C3 C4 C5 C6 0.0(8) . .
C9 C4 C5 C6 -179.6(5) . .
C4 C5 C6 C1 1.3(8) . .
C2 C1 C6 C5 -1.7(7) . .
C7 C1 C6 C5 -178.7(5) . .
Co1 O1 C7 O2 -2.9(7) . .
Co1 O1 C7 C1 175.4(3) . .
C2 C1 C7 O2 -34.6(7) . .
C6 C1 C7 O2 142.3(5) . .
C2 C1 C7 O1 146.8(4) . .
C6 C1 C7 O1 -36.2(6) . .
Co2 O4 C8 O3 -10.1(4) . .
Co2 O4 C8 C2 162.5(4) . .
Co2 O3 C8 O4 10.2(4) . .
Co2 O3 C8 C2 -162.6(3) . .
C1 C2 C8 O4 118.4(5) . .
C3 C2 C8 O4 -68.3(6) . .
C1 C2 C8 O3 -68.7(6) . .
C3 C2 C8 O3 104.7(5) . .
C1 C2 C8 Co2 -148.5(13) . .
C3 C2 C8 Co2 24.8(17) . .
O6 Co2 C8 O4 12.1(3) . .
N6 Co2 C8 O4 172.7(2) . .
O3 Co2 C8 O4 -170.2(4) . .
N2 Co2 C8 O4 -91.6(3) 7_456 .
N4 Co2 C8 O4 92.6(3) 7_466 .
O6 Co2 C8 O3 -177.7(2) . .
N6 Co2 C8 O3 -17.1(3) . .
O4 Co2 C8 O3 170.2(4) . .
N2 Co2 C8 O3 78.6(3) 7_456 .
N4 Co2 C8 O3 -97.2(3) 7_466 .
O6 Co2 C8 C2 -89.6(15) . .
N6 Co2 C8 C2 71.0(15) . .
O3 Co2 C8 C2 88.1(15) . .
O4 Co2 C8 C2 -101.7(15) . .
N2 Co2 C8 C2 166.8(15) 7_456 .
N4 Co2 C8 C2 -9.1(15) 7_466 .
C3 C4 C9 F2' 53.7(13) . .
C5 C4 C9 F2' -126.7(12) . .
C3 C4 C9 F3 -12.7(8) . .
C5 C4 C9 F3 166.9(6) . .
C3 C4 C9 F1' -177.6(10) . .
C5 C4 C9 F1' 2.0(11) . .
C3 C4 C9 F1 -137.8(6) . .
C5 C4 C9 F1 41.8(8) . .
C3 C4 C9 F3' -64.8(11) . .
C5 C4 C9 F3' 114.8(10) . .
C3 C4 C9 F2 104.5(6) . .
C5 C4 C9 F2 -75.9(7) . .
C15 C10 C11 C12 -0.4(8) . .
C16 C10 C11 C12 -177.1(5) . .
C15 C10 C11 C17 -179.5(5) . .
C16 C10 C11 C17 3.8(7) . .
C10 C11 C12 C13 -1.8(7) . .
C17 C11 C12 C13 177.3(5) . .
C11 C12 C13 C14 3.4(9) . .
C11 C12 C13 C18 -178.4(5) . .
F6' C18' F4' F5' 28.6(13) . 7_465
F5' C18' F4' F5' 135.7(10) . 7_465
C14 C18' F4' F5' -86.3(11) . 7_465
F4' C18' F4' F5' 91.9(12) 8_655 7_465
F6' C18' F4' C18' 28(2) . 7_465
F5' C18' F4' C18' 135.5(18) . 7_465
C14 C18' F4' C18' -87(2) . 7_465
F4' C18' F4' C18' 92(2) 8_655 7_465
F6' C18' F5' F4' 50.5(11) . 8_655
F4' C18' F5' F4' -57.2(12) . 8_655
C14 C18' F5' F4' 168.2(11) . 8_655
C12 C13 C14 C15 -2.6(10) . .
C18 C13 C14 C15 179.2(6) . .
C12 C13 C14 C18' 155.6(7) . .
C18 C13 C14 C18' -22.6(10) . .
F6' C18' C14 C13 85.6(10) . .
F5' C18' C14 C13 -31.3(13) . .
F4' C18' C14 C13 -160.2(8) . .
F4' C18' C14 C13 29(6) 8_655 .
F6' C18' C14 C15 -117.1(9) . .
F5' C18' C14 C15 126.1(10) . .
F4' C18' C14 C15 -2.8(13) . .
F4' C18' C14 C15 -174(5) 8_655 .
C14 C13 C18 F6 -56.9(9) . .
C12 C13 C18 F6 125.0(6) . .
C14 C13 C18 F4 61.5(8) . .
C12 C13 C18 F4 -116.7(6) . .
C14 C13 C18 F5 -177.9(6) . .
C12 C13 C18 F5 3.9(9) . .
C13 C14 C15 C10 0.4(10) . .
C18' C14 C15 C10 -157.2(7) . .
C11 C10 C15 C14 1.1(9) . .
C16 C10 C15 C14 177.9(6) . .
Co2 O6 C16 O5 -12.6(8) . .
Co2 O6 C16 C10 165.8(3) . .
C15 C10 C16 O5 59.9(7) . .
C11 C10 C16 O5 -123.3(5) . .
C15 C10 C16 O6 -118.6(6) . .
C11 C10 C16 O6 58.1(6) . .
Co1 O7 C17 O8 -126.9(5) 6_564 .
Co1 O7 C17 C11 53.1(6) 6_564 .
C10 C11 C17 O8 -124.9(5) . .
C12 C11 C17 O8 56.0(7) . .
C10 C11 C17 O7 55.1(6) . .
C12 C11 C17 O7 -124.0(5) . .
C23 N1 C19 C20 -0.2(8) . .
Co1 N1 C19 C20 178.3(4) . .
N1 C19 C20 C21 -0.6(9) . .
C19 C20 C21 C22 1.8(9) . .
C19 C20 C21 C24 -178.7(6) . .
C20 C21 C22 C23 -2.2(8) . .
C24 C21 C22 C23 178.3(5) . .
C19 N1 C23 C22 -0.3(7) . .
Co1 N1 C23 C22 -178.7(4) . .
C21 C22 C23 N1 1.5(8) . .
C22 C21 C24 C25 102.0(7) . .
C20 C21 C24 C25 -77.4(7) . .
C21 C24 C25 C26 173.3(5) . .
C24 C25 C26 C29 67.6(7) . .
N2 C27 C28 C29 0.4(8) . .
C27 C28 C29 C30 -2.2(7) . .
C27 C28 C29 C26 174.6(5) . .
C25 C26 C29 C28 69.4(7) . .
C25 C26 C29 C30 -114.0(6) . .
C28 C29 C30 C31 2.1(7) . .
C26 C29 C30 C31 -174.7(4) . .
C29 C30 C31 N2 -0.2(8) . .
C28 C27 N2 C31 1.5(7) . .
C28 C27 N2 Co2 -177.3(4) . 8_556
C30 C31 N2 C27 -1.6(7) . .
C30 C31 N2 Co2 177.2(4) . 8_556
C37 N3 C33 C34 -2.4(7) . .
Co1 N3 C33 C34 -176.8(4) . .
N3 C33 C34 C35 0.7(8) . .
C33 C34 C35 C36 1.1(7) . .
C33 C34 C35 C38 -178.9(5) . .
C34 C35 C36 C37 -1.1(7) . .
C38 C35 C36 C37 178.9(5) . .
C33 N3 C37 C36 2.4(7) . .
Co1 N3 C37 C36 177.1(4) . .
C35 C36 C37 N3 -0.7(8) . .
C36 C35 C38 C39 129.2(5) . .
C34 C35 C38 C39 -50.8(8) . .
C35 C38 C39 C40 -173.7(5) . .
C38 C39 C40 C43 -178.3(5) . .
C45 N4 C41 C42 0.7(7) . .
Co2 N4 C41 C42 173.8(4) 8_656 .
N4 C41 C42 C43 -0.5(9) . .
C41 C42 C43 C44 0.0(8) . .
C41 C42 C43 C40 -174.5(5) . .
C39 C40 C43 C44 150.6(5) . .
C39 C40 C43 C42 -35.3(9) . .
C42 C43 C44 C45 0.3(8) . .
C40 C43 C44 C45 175.0(5) . .
C41 N4 C45 C44 -0.4(8) . .
Co2 N4 C45 C44 -174.0(4) 8_656 .
C43 C44 C45 N4 -0.1(9) . .
C50 N5 C46 C47 -1.2(7) . .
Co1 N5 C46 C47 177.9(4) . .
N5 C46 C47 C48 0.4(8) . .
C46 C47 C48 C49 -0.3(8) . .
C46 C47 C48 C51 -178.4(5) . .
C47 C48 C49 C50 1.0(8) . .
C51 C48 C49 C50 179.1(5) . .
C46 N5 C50 C49 1.9(7) . .
Co1 N5 C50 C49 -177.2(4) . .
C48 C49 C50 N5 -1.9(8) . .
C49 C48 C51 C52 -138.2(8) . .
C47 C48 C51 C52 39.9(11) . .
C49 C48 C51 C52 -82.1(7) . 2_575
C47 C48 C51 C52 95.9(6) . 2_575
C48 C51 C52 C52 76.3(8) . 2_575
C48 C51 C52 C51 111.9(9) . 2_575
C52 C51 C52 C51 35.6(7) 2_575 2_575
C57 N6 C53 C54 1.7(8) . .
Co2 N6 C53 C54 -174.5(4) . .
N6 C53 C54 C55 -3.4(9) . .
C53 C54 C55 C56 3.3(9) . .
C53 C54 C55 C58 -177.5(6) . .
C54 C55 C56 C57 -1.8(8) . .
C58 C55 C56 C57 179.0(6) . .
C53 N6 C57 C56 0.0(8) . .
Co2 N6 C57 C56 176.2(4) . .
C55 C56 C57 N6 0.1(8) . .
C56 C55 C58 C59 47.7(11) . .
C54 C55 C58 C59 -131.5(8) . .
C56 C55 C58 C59 92.6(8) . 2_675
C54 C55 C58 C59 -86.6(8) . 2_675
C55 C58 C59 C59 82.0(8) . 2_675
C55 C58 C59 C58 129.8(9) . 2_675
C59 C58 C59 C58 47.8(9) 2_675 2_675
