# Electronic Supplementary Material (ESI) for ChemComm.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# 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_0606-ypf-co14b
_database_code_depnum_ccdc_archive 'CCDC 1028478'
_audit_update_record             
;
2014-10-09 deposited with the CCDC.
2015-03-05 downloaded from the CCDC.
;
_audit_creation_date             2012-10-10
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C88 H60 Cl12 Co14 N48 O4'
_chemical_formula_sum            'C88 H0.50 Cl12 Co14 N48 O4'
_chemical_formula_weight         3044.28
_chemical_melting_point          ?
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'
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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   17.9278(4)
_cell_length_b                   18.5740(4)
_cell_length_c                   28.0345(6)
_cell_angle_alpha                74.8010(18)
_cell_angle_beta                 87.6211(18)
_cell_angle_gamma                61.281(2)
_cell_volume                     7861.0(3)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    33199
_cell_measurement_temperature    100.00(10)
_cell_measurement_theta_max      29.2279
_cell_measurement_theta_min      2.7772
_exptl_absorpt_coefficient_mu    1.688
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.64353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.286
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             2957
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0322
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            90048
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.78
_diffrn_ambient_temperature      100.00(10)
_diffrn_detector_area_resol_mean 16.1623
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -67.00  -39.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.6281  -77.0000  150.0000 56

#__ type_ start__ end____ width___ exp.time_
  2 omega   -5.00   23.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.6281  -99.0000   30.0000 56

#__ type_ start__ end____ width___ exp.time_
  3 omega  -14.00   22.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.6281  -99.0000  -90.0000 72

#__ type_ start__ end____ width___ exp.time_
  4 omega  -27.00    8.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.6281  -77.0000  150.0000 70

#__ type_ start__ end____ width___ exp.time_
  5 omega  -64.00  -37.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.6281 -178.0000 -150.0000 54

#__ type_ start__ end____ width___ exp.time_
  6 omega  -77.00  -51.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.6281 -178.0000  -30.0000 52

#__ type_ start__ end____ width___ exp.time_
  7 omega  -49.00   38.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6906  -57.0000 -120.0000 174

#__ type_ start__ end____ width___ exp.time_
  8 omega  -49.00   38.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6906  -57.0000    0.0000 174

#__ type_ start__ end____ width___ exp.time_
  9 omega    2.00   88.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6906   57.0000  150.0000 172

#__ type_ start__ end____ width___ exp.time_
 10 omega  -20.00    5.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -      -15.6281  -99.0000    0.0000 50

#__ type_ start__ end____ width___ exp.time_
 11 omega    1.00   88.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6906   57.0000  -60.0000 174

#__ type_ start__ end____ width___ exp.time_
 12 omega  -49.00   38.00   0.5000   25.0000
omega____ theta____ kappa____ phi______ frames
    -       19.6906  -57.0000  150.0000 174
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0259105000
_diffrn_orient_matrix_UB_12      -0.0165541000
_diffrn_orient_matrix_UB_13      -0.0184304000
_diffrn_orient_matrix_UB_21      -0.0212898000
_diffrn_orient_matrix_UB_22      0.0409775000
_diffrn_orient_matrix_UB_23      -0.0172731000
_diffrn_orient_matrix_UB_31      0.0305187000
_diffrn_orient_matrix_UB_32      0.0098659000
_diffrn_orient_matrix_UB_33      0.0074720000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                21664
_reflns_number_total             27717
_reflns_odcompleteness_completeness 99.84
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         5.340
_refine_diff_density_min         -4.088
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.144
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1509
_refine_ls_number_reflns         27717
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1086
_refine_ls_R_factor_gt           0.0941
_refine_ls_restrained_S_all      1.144
_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)+(0.1518P)²+41.4259P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2629
_refine_ls_wR_factor_ref         0.2773
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Co1 Co 0.13852(5) 0.98518(5) 0.18773(3) 0.0203(2) Uani 1 1 d . . .
Co2 Co 0.34137(5) 0.89066(6) 0.20161(3) 0.0217(2) Uani 1 1 d . . .
Co3 Co 0.24463(5) 0.78164(5) 0.20857(3) 0.0230(2) Uani 1 1 d . . .
Co4 Co 0.23768(6) 0.86867(6) 0.29367(3) 0.0248(2) Uani 1 1 d . . .
Co5 Co -0.07008(5) 0.90889(6) 0.06130(3) 0.0232(2) Uani 1 1 d . . .
Co6 Co 0.24621(6) 0.58520(6) 0.17883(4) 0.0324(2) Uani 1 1 d . . .
Co7 Co 0.26924(18) 0.51898(12) 0.40742(6) 0.1024(8) Uani 1 1 d . . .
Co8 Co 0.23620(7) 0.84116(7) 0.43646(4) 0.0363(3) Uani 1 1 d . . .
Co9 Co -0.12812(7) 1.07611(8) 0.33584(4) 0.0424(3) Uani 1 1 d . . .
Co10 Co -0.06664(6) 1.19357(6) 0.12024(3) 0.0261(2) Uani 1 1 d . . .
Co11 Co 0.23768(10) 1.23940(8) 0.04993(6) 0.0773(5) Uani 1 1 d . . .
Co12 Co 0.54533(6) 0.90398(6) 0.15790(3) 0.0283(2) Uani 1 1 d . . .
Co13 Co 0.47634(15) 0.98270(19) 0.35787(7) 0.1113(9) Uani 1 1 d . . .
Co14 Co 0.58217(8) 0.58239(9) 0.12267(6) 0.0574(4) Uani 1 1 d . . .
Cl1 Cl -0.18716(15) 0.9456(2) 0.10009(10) 0.0667(8) Uani 1 1 d . . .
Cl2 Cl -0.08951(12) 0.89661(14) -0.01248(6) 0.0384(4) Uani 1 1 d . . .
Cl3 Cl 0.4026(5) 0.4105(4) 0.4193(2) 0.177(3) Uani 1 1 d . A .
Cl4 Cl 0.2029(11) 0.4554(10) 0.4231(7) 0.218(10) Uani 0.492(14) 1 d P A 1
Cl4' Cl 0.2499(10) 0.4981(10) 0.4858(4) 0.187(7) Uani 0.508(14) 1 d P A 2
Cl5 Cl -0.18156(18) 0.9878(2) 0.34686(9) 0.0670(7) Uani 1 1 d . . .
Cl6 Cl -0.20849(15) 1.19061(17) 0.36182(8) 0.0566(6) Uani 1 1 d . . .
Cl7 Cl 0.2156(2) 1.2751(4) -0.03178(15) 0.145(2) Uani 1 1 d . . .
Cl8 Cl 0.2297(2) 1.3423(2) 0.0752(3) 0.155(3) Uani 1 1 d . . .
Cl9 Cl 0.5895(4) 0.9208(4) 0.40732(14) 0.1319(18) Uani 1 1 d . . .
Cl10 Cl 0.4138(6) 1.1103(4) 0.3435(4) 0.232(4) Uani 1 1 d . . .
Cl11 Cl 0.6822(3) 0.4557(3) 0.1729(2) 0.1393(18) Uani 1 1 d . . .
Cl12 Cl 0.5991(4) 0.6168(7) 0.04634(19) 0.212(4) Uani 1 1 d . . .
O1 O 0.2350(3) 0.9677(3) 0.23559(16) 0.0256(10) Uani 1 1 d . . .
O2 O 0.2442(3) 0.8924(3) 0.1594(2) 0.0302(11) Uani 1 1 d . . .
O3 O 0.1528(3) 0.8743(3) 0.24013(17) 0.0275(10) Uani 1 1 d . . .
O4 O 0.3297(3) 0.7923(3) 0.25324(17) 0.0283(10) Uani 1 1 d . . .
N1 N -0.1262(4) 1.2142(4) 0.0462(2) 0.0277(12) Uani 1 1 d . . .
N2 N -0.0238(3) 0.9827(3) 0.07594(19) 0.0221(11) Uani 1 1 d . . .
N3 N 0.0444(3) 0.9931(3) 0.13684(19) 0.0215(11) Uani 1 1 d . . .
N4 N -0.0165(3) 1.0735(3) 0.11041(19) 0.0231(11) Uani 1 1 d . . .
N5 N 0.0373(3) 0.8167(3) 0.1068(2) 0.0239(11) Uani 1 1 d . . .
N6 N 0.1536(4) 0.7129(3) 0.1542(2) 0.0272(12) Uani 1 1 d . . .
N7 N 0.1489(3) 0.7869(3) 0.1574(2) 0.0239(11) Uani 1 1 d . . .
N8 N 0.1332(4) 0.5855(4) 0.1453(3) 0.0365(14) Uani 1 1 d . . .
N9 N 0.2816(5) 0.4617(4) 0.2319(3) 0.0479(17) Uani 1 1 d . . .
N10 N 0.2468(4) 0.6094(4) 0.2468(2) 0.0381(15) Uani 1 1 d . A .
N11 N 0.2442(4) 0.6734(4) 0.2636(2) 0.0334(14) Uani 1 1 d . A .
N12 N 0.2603(5) 0.5646(4) 0.3297(3) 0.0488(18) Uani 1 1 d . A .
N13 N 0.2476(4) 0.7570(4) 0.3497(2) 0.0341(14) Uani 1 1 d . . .
N14 N 0.2655(4) 0.7525(4) 0.3977(2) 0.0403(15) Uani 1 1 d . A .
N15 N 0.2862(6) 0.6252(5) 0.3984(3) 0.0530(19) Uani 1 1 d . A .
N16 N 0.3066(5) 0.7185(5) 0.4928(3) 0.0522(19) Uani 1 1 d . . .
N17 N 0.1195(5) 0.8677(5) 0.4762(2) 0.0429(16) Uani 1 1 d . . .
N18 N -0.0004(4) 1.0063(5) 0.3562(2) 0.0374(15) Uani 1 1 d . . .
N19 N 0.1356(4) 0.9196(4) 0.3814(2) 0.0344(14) Uani 1 1 d . . .
N20 N 0.1312(4) 0.9492(4) 0.3309(2) 0.0290(13) Uani 1 1 d . . .
N21 N -0.0848(4) 1.1004(4) 0.2685(2) 0.0363(14) Uani 1 1 d . . .
N22 N 0.0303(4) 1.0703(4) 0.2248(2) 0.0250(12) Uani 1 1 d . . .
N23 N -0.0427(4) 1.1305(4) 0.1946(2) 0.0283(12) Uani 1 1 d . . .
N24 N -0.1980(4) 1.2336(4) 0.1463(2) 0.0339(14) Uani 1 1 d . . .
N25 N -0.0768(4) 1.3183(4) 0.0937(2) 0.0309(13) Uani 1 1 d . . .
N26 N 0.0597(3) 1.1684(3) 0.1228(2) 0.0242(11) Uani 1 1 d . . .
N27 N 0.1370(3) 1.0968(3) 0.13632(19) 0.0226(11) Uani 1 1 d . . .
N28 N 0.1546(4) 1.2046(4) 0.0889(2) 0.0326(13) Uani 1 1 d . . .
N29 N 0.3221(4) 1.1104(4) 0.0819(2) 0.0322(13) Uani 1 1 d . . .
N30 N 0.3417(3) 0.9964(4) 0.1444(2) 0.0246(12) Uani 1 1 d . . .
N31 N 0.4189(4) 0.9834(4) 0.1272(2) 0.0289(13) Uani 1 1 d . . .
N32 N 0.5525(4) 0.9769(5) 0.0830(2) 0.0372(15) Uani 1 1 d . . .
N33 N 0.6045(4) 0.9636(5) 0.1902(2) 0.0388(15) Uani 1 1 d . . .
N34 N 0.4961(4) 0.9101(4) 0.2253(2) 0.0323(14) Uani 1 1 d . . .
N35 N 0.4335(4) 0.8947(4) 0.2481(2) 0.0285(13) Uani 1 1 d . . .
N36 N 0.4893(5) 0.9388(6) 0.2973(2) 0.0487(19) Uani 1 1 d . . .
N37 N 0.3987(5) 0.9286(6) 0.3723(2) 0.052(2) Uani 1 1 d . . .
N38 N 0.3274(4) 0.8770(4) 0.3412(2) 0.0327(14) Uani 1 1 d . . .
N39 N 0.3070(4) 0.8812(4) 0.3880(2) 0.0366(14) Uani 1 1 d . . .
N40 N 0.2765(5) 0.9060(5) 0.4768(2) 0.0428(16) Uani 1 1 d . . .
N41 N 0.6723(4) 0.7911(5) 0.1577(2) 0.0395(15) Uani 1 1 d . . .
N42 N 0.5192(4) 0.8054(4) 0.1639(2) 0.0308(13) Uani 1 1 d . . .
N43 N 0.4461(3) 0.7985(4) 0.1689(2) 0.0269(12) Uani 1 1 d . . .
N44 N 0.5523(4) 0.6810(4) 0.1525(3) 0.0407(16) Uani 1 1 d . . .
N45 N 0.4547(4) 0.6172(4) 0.1354(2) 0.0346(14) Uani 1 1 d . . .
N46 N 0.3320(4) 0.6320(4) 0.1614(2) 0.0314(13) Uani 1 1 d . . .
N47 N 0.3458(4) 0.6916(4) 0.1745(2) 0.0279(12) Uani 1 1 d . . .
N48 N 0.3246(4) 0.5201(4) 0.1231(3) 0.0371(15) Uani 1 1 d . . .
C1 C 0.2270(6) 1.0417(6) 0.2454(3) 0.050(2) Uani 1 1 d . . .
H1A H 0.2706 1.0534 0.2306 0.075 Uiso 1 1 calc R . .
H1B H 0.2330 1.0328 0.2807 0.075 Uiso 1 1 calc R . .
H1C H 0.1717 1.0893 0.2317 0.075 Uiso 1 1 calc R . .
C2 C 0.2488(5) 0.9026(5) 0.1117(4) 0.045(2) Uani 1 1 d . . .
H2A H 0.2108 0.8878 0.0988 0.068 Uiso 1 1 calc R . .
H2B H 0.3063 0.8663 0.1058 0.068 Uiso 1 1 calc R . .
H2C H 0.2326 0.9611 0.0955 0.068 Uiso 1 1 calc R . .
C3 C 0.0806(8) 0.8653(7) 0.2548(4) 0.075(4) Uani 1 1 d . . .
H3A H 0.0546 0.8961 0.2789 0.113 Uiso 1 1 calc R . .
H3B H 0.0981 0.8059 0.2691 0.113 Uiso 1 1 calc R . .
H3C H 0.0401 0.8877 0.2263 0.113 Uiso 1 1 calc R . .
C4 C 0.4033(6) 0.7220(6) 0.2800(4) 0.056(2) Uani 1 1 d . . .
H4A H 0.4495 0.7091 0.2593 0.084 Uiso 1 1 calc R . .
H4B H 0.3939 0.6738 0.2909 0.084 Uiso 1 1 calc R . .
H4C H 0.4175 0.7344 0.3084 0.084 Uiso 1 1 calc R . .
C5 C -0.1758(5) 1.2872(5) 0.0119(3) 0.0369(17) Uani 1 1 d . . .
H5 H -0.1824 1.3377 0.0165 0.044 Uiso 1 1 calc R . .
C6 C -0.2177(5) 1.2919(5) -0.0295(3) 0.0371(17) Uani 1 1 d . . .
H6 H -0.2519 1.3445 -0.0522 0.045 Uiso 1 1 calc R . .
C7 C -0.2084(5) 1.2181(6) -0.0371(3) 0.0426(19) Uani 1 1 d . . .
H7 H -0.2377 1.2199 -0.0643 0.051 Uiso 1 1 calc R . .
C8 C -0.1550(4) 1.1415(5) -0.0037(3) 0.0312(15) Uani 1 1 d . . .
H8 H -0.1456 1.0903 -0.0086 0.037 Uiso 1 1 calc R . .
C9 C -0.1155(4) 1.1421(4) 0.0375(2) 0.0262(14) Uani 1 1 d . . .
C10 C -0.0546(4) 1.0649(4) 0.0745(2) 0.0234(13) Uani 1 1 d . . .
C11 C 0.0370(4) 0.9416(4) 0.1150(2) 0.0211(13) Uani 1 1 d . . .
C12 C 0.0782(4) 0.8480(4) 0.1285(2) 0.0229(13) Uani 1 1 d . . .
C13 C 0.0873(4) 0.7327(4) 0.1246(3) 0.0280(15) Uani 1 1 d . . .
C14 C 0.0745(5) 0.6637(4) 0.1172(3) 0.0316(16) Uani 1 1 d . . .
C15 C 0.0072(5) 0.6776(5) 0.0875(3) 0.0363(17) Uani 1 1 d . . .
H15 H -0.0312 0.7324 0.0686 0.044 Uiso 1 1 calc R . .
C16 C -0.0026(5) 0.6088(6) 0.0863(4) 0.049(2) Uani 1 1 d . . .
H16 H -0.0470 0.6161 0.0661 0.059 Uiso 1 1 calc R . .
C17 C 0.0551(6) 0.5287(5) 0.1157(4) 0.049(2) Uani 1 1 d . . .
H17 H 0.0496 0.4813 0.1161 0.059 Uiso 1 1 calc R . .
C18 C 0.1213(6) 0.5205(5) 0.1445(3) 0.047(2) Uani 1 1 d . . .
H18 H 0.1595 0.4664 0.1644 0.056 Uiso 1 1 calc R . .
C19 C 0.3021(7) 0.3884(5) 0.2234(4) 0.059(3) Uani 1 1 d . . .
H19 H 0.3116 0.3833 0.1913 0.071 Uiso 1 1 calc R . .
C20 C 0.3100(9) 0.3181(6) 0.2607(5) 0.078(4) Uani 1 1 d . . .
H20 H 0.3222 0.2680 0.2530 0.093 Uiso 1 1 calc R . .
C21 C 0.3002(9) 0.3224(7) 0.3068(5) 0.085(4) Uani 1 1 d . . .
H21 H 0.3075 0.2747 0.3318 0.102 Uiso 1 1 calc R . .
C22 C 0.2786(9) 0.4000(7) 0.3184(5) 0.077(3) Uani 1 1 d . . .
H22 H 0.2695 0.4053 0.3505 0.092 Uiso 1 1 calc R . .
C23 C 0.2719(7) 0.4659(6) 0.2799(4) 0.054(2) Uani 1 1 d . A .
C24 C 0.2568(6) 0.5461(5) 0.2863(3) 0.046(2) Uani 1 1 d . . .
C25 C 0.2525(6) 0.6445(5) 0.3130(3) 0.0400(18) Uani 1 1 d . . .
C26 C 0.2604(6) 0.6793(5) 0.3512(3) 0.0400(18) Uani 1 1 d . A .
C27 C 0.2899(7) 0.6740(6) 0.4244(3) 0.053(2) Uani 1 1 d . . .
C28 C 0.3214(8) 0.6522(7) 0.4766(4) 0.069(3) Uani 1 1 d . A .
C29 C 0.3724(10) 0.5654(9) 0.5042(4) 0.095(4) Uani 1 1 d . . .
H29 H 0.3846 0.5199 0.4913 0.115 Uiso 1 1 calc R A .
C30 C 0.4031(11) 0.5539(10) 0.5527(5) 0.110(5) Uani 1 1 d . A .
H30 H 0.4363 0.4990 0.5734 0.132 Uiso 1 1 calc R . .
C31 C 0.3836(10) 0.6248(9) 0.5701(5) 0.098(5) Uani 1 1 d . . .
H31 H 0.4017 0.6171 0.6025 0.118 Uiso 1 1 calc R A .
C32 C 0.3381(8) 0.7046(8) 0.5389(4) 0.070(3) Uani 1 1 d . A .
H32 H 0.3285 0.7512 0.5498 0.084 Uiso 1 1 calc R . .
C33 C 0.1153(6) 0.8338(7) 0.5242(3) 0.050(2) Uani 1 1 d . . .
H33 H 0.1660 0.7953 0.5444 0.060 Uiso 1 1 calc R . .
C34 C 0.0376(6) 0.8544(7) 0.5449(3) 0.056(2) Uani 1 1 d . . .
H34 H 0.0361 0.8304 0.5782 0.067 Uiso 1 1 calc R . .
C35 C -0.0372(6) 0.9119(7) 0.5138(3) 0.058(3) Uani 1 1 d . . .
H35 H -0.0899 0.9275 0.5265 0.070 Uiso 1 1 calc R . .
C36 C -0.0337(6) 0.9463(6) 0.4640(3) 0.048(2) Uani 1 1 d . . .
H36 H -0.0835 0.9837 0.4427 0.058 Uiso 1 1 calc R . .
C37 C 0.0457(5) 0.9235(6) 0.4469(3) 0.0415(19) Uani 1 1 d . . .
C38 C 0.0579(5) 0.9534(5) 0.3949(3) 0.0368(17) Uani 1 1 d . . .
C39 C 0.0480(5) 1.0013(5) 0.3170(3) 0.0319(16) Uani 1 1 d . . .
C40 C 0.0022(4) 1.0549(5) 0.2693(3) 0.0309(15) Uani 1 1 d . . .
C41 C -0.1086(4) 1.1467(5) 0.2209(3) 0.0306(15) Uani 1 1 d . . .
C42 C -0.1957(5) 1.2030(5) 0.1963(3) 0.0337(16) Uani 1 1 d . . .
C43 C -0.2674(5) 1.2159(6) 0.2201(3) 0.048(2) Uani 1 1 d . . .
H43 H -0.2634 1.1937 0.2543 0.058 Uiso 1 1 calc R . .
C44 C -0.3475(6) 1.2639(7) 0.1914(4) 0.058(3) Uani 1 1 d . . .
H44 H -0.3977 1.2740 0.2063 0.070 Uiso 1 1 calc R . .
C45 C -0.3495(5) 1.2943(6) 0.1428(4) 0.053(2) Uani 1 1 d . . .
H45 H -0.4017 1.3260 0.1233 0.063 Uiso 1 1 calc R . .
C46 C -0.2737(5) 1.2794(5) 0.1204(3) 0.0441(19) Uani 1 1 d . . .
H46 H -0.2771 1.3024 0.0863 0.053 Uiso 1 1 calc R . .
C47 C -0.1471(5) 1.3939(5) 0.0846(3) 0.0376(17) Uani 1 1 d . . .
H47 H -0.1977 1.3957 0.0952 0.045 Uiso 1 1 calc R . .
C48 C -0.1493(5) 1.4710(5) 0.0600(3) 0.0412(18) Uani 1 1 d . . .
H48 H -0.1998 1.5228 0.0541 0.049 Uiso 1 1 calc R . .
C49 C -0.0725(5) 1.4670(5) 0.0447(3) 0.0430(19) Uani 1 1 d . . .
H49 H -0.0713 1.5163 0.0271 0.052 Uiso 1 1 calc R . .
C50 C 0.0011(5) 1.3895(5) 0.0558(3) 0.0397(18) Uani 1 1 d . . .
H50 H 0.0531 1.3862 0.0472 0.048 Uiso 1 1 calc R . .
C51 C -0.0027(5) 1.3165(4) 0.0797(3) 0.0313(15) Uani 1 1 d . . .
C52 C 0.0714(5) 1.2319(4) 0.0955(3) 0.0293(15) Uani 1 1 d . . .
C53 C 0.1927(4) 1.1208(4) 0.1155(2) 0.0258(14) Uani 1 1 d . . .
C54 C 0.2848(4) 1.0737(4) 0.1155(2) 0.0269(14) Uani 1 1 d . . .
C55 C 0.4047(5) 1.0512(5) 0.0901(3) 0.0295(15) Uani 1 1 d . . .
C56 C 0.4775(5) 1.0466(5) 0.0621(3) 0.0341(17) Uani 1 1 d . . .
C57 C 0.4698(6) 1.1029(6) 0.0167(3) 0.0415(19) Uani 1 1 d . . .
H57 H 0.4172 1.1505 0.0034 0.050 Uiso 1 1 calc R . .
C58 C 0.5420(6) 1.0875(7) -0.0087(3) 0.048(2) Uani 1 1 d . . .
H58 H 0.5385 1.1242 -0.0394 0.057 Uiso 1 1 calc R . .
C59 C 0.6195(6) 1.0157(6) 0.0128(3) 0.047(2) Uani 1 1 d . . .
H59 H 0.6689 1.0042 -0.0032 0.057 Uiso 1 1 calc R . .
C60 C 0.6224(5) 0.9615(6) 0.0582(3) 0.0413(19) Uani 1 1 d . . .
H60 H 0.6741 0.9131 0.0721 0.050 Uiso 1 1 calc R . .
C61 C 0.6567(5) 0.9935(6) 0.1701(3) 0.042(2) Uani 1 1 d . . .
H61 H 0.6654 0.9972 0.1368 0.050 Uiso 1 1 calc R . .
C62 C 0.6980(6) 1.0191(7) 0.1967(4) 0.058(3) Uani 1 1 d . . .
H62 H 0.7335 1.0399 0.1815 0.069 Uiso 1 1 calc R . .
C63 C 0.6861(7) 1.0134(8) 0.2462(4) 0.060(3) Uani 1 1 d . . .
H63 H 0.7156 1.0275 0.2653 0.073 Uiso 1 1 calc R . .
C64 C 0.6298(6) 0.9864(7) 0.2668(3) 0.055(3) Uani 1 1 d . . .
H64 H 0.6189 0.9842 0.2997 0.066 Uiso 1 1 calc R . .
C65 C 0.5900(5) 0.9629(6) 0.2380(3) 0.043(2) Uani 1 1 d . . .
C66 C 0.5270(5) 0.9359(6) 0.2545(3) 0.0420(19) Uani 1 1 d . . .
C67 C 0.4327(5) 0.9121(6) 0.2915(3) 0.0409(19) Uani 1 1 d . . .
C68 C 0.3836(5) 0.9048(6) 0.3333(3) 0.0418(19) Uani 1 1 d . . .
C69 C 0.3482(6) 0.9133(6) 0.4045(3) 0.044(2) Uani 1 1 d . . .
C70 C 0.3335(6) 0.9286(7) 0.4540(3) 0.051(2) Uani 1 1 d . . .
C71 C 0.3715(7) 0.9632(7) 0.4745(3) 0.058(3) Uani 1 1 d . . .
H71 H 0.4106 0.9777 0.4581 0.070 Uiso 1 1 calc R . .
C72 C 0.3495(7) 0.9761(8) 0.5210(3) 0.063(3) Uani 1 1 d . . .
H72 H 0.3747 0.9990 0.5363 0.075 Uiso 1 1 calc R . .
C73 C 0.2915(7) 0.9554(7) 0.5441(3) 0.060(3) Uani 1 1 d . . .
H73 H 0.2760 0.9644 0.5750 0.072 Uiso 1 1 calc R . .
C74 C 0.2565(6) 0.9211(6) 0.5210(3) 0.050(2) Uani 1 1 d . . .
H74 H 0.2165 0.9073 0.5367 0.060 Uiso 1 1 calc R . .
C75 C 0.7505(5) 0.7843(6) 0.1599(3) 0.049(2) Uani 1 1 d . . .
H75 H 0.7553 0.8319 0.1599 0.059 Uiso 1 1 calc R . .
C76 C 0.8235(5) 0.7077(7) 0.1622(4) 0.056(2) Uani 1 1 d . . .
H76 H 0.8768 0.7037 0.1658 0.068 Uiso 1 1 calc R . .
C77 C 0.8186(6) 0.6377(7) 0.1593(4) 0.063(3) Uani 1 1 d . . .
H77 H 0.8680 0.5869 0.1598 0.076 Uiso 1 1 calc R . .
C78 C 0.7386(5) 0.6441(6) 0.1555(4) 0.054(2) Uani 1 1 d . . .
H78 H 0.7327 0.5978 0.1535 0.065 Uiso 1 1 calc R . .
C79 C 0.6677(5) 0.7218(6) 0.1548(3) 0.0421(19) Uani 1 1 d . . .
C80 C 0.5803(5) 0.7353(5) 0.1555(3) 0.0369(17) Uani 1 1 d . . .
C81 C 0.4687(4) 0.7238(5) 0.1613(3) 0.0302(15) Uani 1 1 d . . .
C82 C 0.4187(4) 0.6814(4) 0.1585(3) 0.0293(15) Uani 1 1 d . . .
C83 C 0.3975(5) 0.5915(5) 0.1379(3) 0.0320(16) Uani 1 1 d . . .
C84 C 0.3940(5) 0.5307(5) 0.1138(3) 0.0364(17) Uani 1 1 d . . .
C85 C 0.4498(5) 0.4979(5) 0.0799(3) 0.0428(19) Uani 1 1 d . . .
H85 H 0.4963 0.5072 0.0743 0.051 Uiso 1 1 calc R . .
C86 C 0.4348(6) 0.4511(5) 0.0545(4) 0.052(2) Uani 1 1 d . . .
H86 H 0.4717 0.4278 0.0318 0.063 Uiso 1 1 calc R . .
C87 C 0.3648(6) 0.4390(5) 0.0630(4) 0.051(2) Uani 1 1 d . . .
H87 H 0.3528 0.4089 0.0456 0.061 Uiso 1 1 calc R . .
C88 C 0.3117(6) 0.4735(5) 0.0989(3) 0.046(2) Uani 1 1 d . . .
H88 H 0.2659 0.4633 0.1059 0.055 Uiso 1 1 calc R . .


_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
Co1 O1 2.079(4) . ?
Co1 O2 2.156(5) . ?
Co1 O3 2.098(5) . ?
Co1 N3 2.180(5) . ?
Co1 N22 2.256(5) . ?
Co1 N27 2.181(5) . ?
Co2 O1 2.129(5) . ?
Co2 O2 2.130(5) . ?
Co2 O4 2.105(5) . ?
Co2 N30 2.188(6) . ?
Co2 N35 2.187(5) . ?
Co2 N43 2.210(6) . ?
Co3 O2 2.153(5) . ?
Co3 O3 2.100(5) . ?
Co3 O4 2.124(4) . ?
Co3 N7 2.233(5) . ?
Co3 N11 2.192(6) . ?
Co3 N47 2.185(6) . ?
Co4 O1 2.095(5) . ?
Co4 O3 2.129(5) . ?
Co4 O4 2.111(5) . ?
Co4 N13 2.183(6) . ?
Co4 N20 2.209(6) . ?
Co4 N38 2.216(6) . ?
Co5 Cl1 2.208(2) . ?
Co5 Cl2 2.1989(18) . ?
Co5 N2 2.037(5) . ?
Co5 N5 2.039(6) . ?
Co6 N6 2.076(6) . ?
Co6 N8 2.266(6) . ?
Co6 N9 2.184(7) . ?
Co6 N10 2.071(7) . ?
Co6 N46 2.087(6) . ?
Co6 N48 2.249(7) . ?
Co7 Cl3 2.229(7) . ?
Co7 Cl4 2.009(16) . ?
Co7 Cl4' 2.171(12) . ?
Co7 N12 2.104(7) . ?
Co7 N15 2.086(8) . ?
Co8 N14 2.056(7) . ?
Co8 N16 2.189(8) . ?
Co8 N17 2.228(7) . ?
Co8 N19 2.069(6) . ?
Co8 N39 2.059(6) . ?
Co8 N40 2.206(7) . ?
Co9 Cl5 2.219(3) . ?
Co9 Cl6 2.216(3) . ?
Co9 N18 2.029(6) . ?
Co9 N21 2.034(6) . ?
Co10 N1 2.230(6) . ?
Co10 N4 2.058(5) . ?
Co10 N23 2.053(6) . ?
Co10 N24 2.257(6) . ?
Co10 N25 2.157(6) . ?
Co10 N26 2.081(5) . ?
Co11 Cl7 2.207(4) . ?
Co11 Cl8 2.147(4) . ?
Co11 N28 2.062(6) . ?
Co11 N29 2.083(7) . ?
Co12 N31 2.082(6) . ?
Co12 N32 2.216(7) . ?
Co12 N33 2.215(6) . ?
Co12 N34 2.058(6) . ?
Co12 N41 2.235(7) . ?
Co12 N42 2.063(6) . ?
Co13 Cl9 2.124(5) . ?
Co13 Cl10 2.005(6) . ?
Co13 N36 2.029(7) . ?
Co13 N37 2.048(7) . ?
Co14 Cl11 2.269(5) . ?
Co14 Cl12 2.120(5) . ?
Co14 N44 2.041(6) . ?
Co14 N45 2.098(6) . ?
O1 C1 1.411(10) . ?
O2 C2 1.304(10) . ?
O3 C3 1.415(14) . ?
O4 C4 1.387(11) . ?
N1 C5 1.334(9) . ?
N1 C9 1.345(9) . ?
N2 C10 1.341(8) . ?
N2 C11 1.354(8) . ?
N3 N4 1.375(8) . ?
N3 C11 1.319(8) . ?
N4 C10 1.322(8) . ?
N5 C12 1.368(8) . ?
N5 C13 1.331(9) . ?
N6 N7 1.363(7) . ?
N6 C13 1.318(9) . ?
N7 C12 1.330(9) . ?
N8 C14 1.356(10) . ?
N8 C18 1.328(10) . ?
N9 C19 1.314(11) . ?
N9 C23 1.367(12) . ?
N10 N11 1.368(8) . ?
N10 C24 1.333(10) . ?
N11 C25 1.335(10) . ?
N12 C24 1.358(11) . ?
N12 C25 1.372(10) . ?
N13 N14 1.369(8) . ?
N13 C26 1.336(10) . ?
N14 C27 1.311(11) . ?
N15 C26 1.371(10) . ?
N15 C27 1.330(12) . ?
N16 C28 1.328(14) . ?
N16 C32 1.341(12) . ?
N17 C33 1.342(11) . ?
N17 C37 1.352(11) . ?
N18 C38 1.335(10) . ?
N18 C39 1.367(9) . ?
N19 N20 1.370(8) . ?
N19 C38 1.311(10) . ?
N20 C39 1.332(9) . ?
N21 C40 1.369(10) . ?
N21 C41 1.341(10) . ?
N22 N23 1.366(8) . ?
N22 C40 1.340(9) . ?
N23 C41 1.316(9) . ?
N24 C42 1.361(10) . ?
N24 C46 1.320(10) . ?
N25 C47 1.327(10) . ?
N25 C51 1.358(9) . ?
N26 N27 1.358(8) . ?
N26 C52 1.331(9) . ?
N27 C53 1.333(8) . ?
N28 C52 1.348(9) . ?
N28 C53 1.362(9) . ?
N29 C54 1.358(9) . ?
N29 C55 1.336(10) . ?
N30 N31 1.376(8) . ?
N30 C54 1.345(9) . ?
N31 C55 1.326(10) . ?
N32 C56 1.350(11) . ?
N32 C60 1.350(10) . ?
N33 C61 1.340(10) . ?
N33 C65 1.352(10) . ?
N34 N35 1.378(8) . ?
N34 C66 1.308(9) . ?
N35 C67 1.336(9) . ?
N36 C66 1.353(10) . ?
N36 C67 1.356(10) . ?
N37 C68 1.364(10) . ?
N37 C69 1.325(10) . ?
N38 N39 1.360(8) . ?
N38 C68 1.323(10) . ?
N39 C69 1.309(10) . ?
N40 C70 1.358(11) . ?
N40 C74 1.338(10) . ?
N41 C75 1.348(10) . ?
N41 C79 1.351(10) . ?
N42 N43 1.375(8) . ?
N42 C80 1.311(10) . ?
N43 C81 1.321(9) . ?
N44 C80 1.347(10) . ?
N44 C81 1.366(9) . ?
N45 C82 1.373(9) . ?
N45 C83 1.316(9) . ?
N46 N47 1.381(7) . ?
N46 C83 1.314(10) . ?
N47 C82 1.306(9) . ?
N48 C84 1.356(10) . ?
N48 C88 1.331(10) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
C2 H2A 0.9600 . ?
C2 H2B 0.9600 . ?
C2 H2C 0.9600 . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5 0.9300 . ?
C5 C6 1.369(11) . ?
C6 H6 0.9300 . ?
C6 C7 1.373(12) . ?
C7 H7 0.9300 . ?
C7 C8 1.372(11) . ?
C8 H8 0.9300 . ?
C8 C9 1.385(10) . ?
C9 C10 1.461(9) . ?
C11 C12 1.469(9) . ?
C13 C14 1.473(9) . ?
C14 C15 1.373(10) . ?
C15 H15 0.9300 . ?
C15 C16 1.378(11) . ?
C16 H16 0.9300 . ?
C16 C17 1.383(13) . ?
C17 H17 0.9300 . ?
C17 C18 1.387(12) . ?
C18 H18 0.9300 . ?
C19 H19 0.9300 . ?
C19 C20 1.392(15) . ?
C20 H20 0.9300 . ?
C20 C21 1.314(17) . ?
C21 H21 0.9300 . ?
C21 C22 1.426(16) . ?
C22 H22 0.9300 . ?
C22 C23 1.363(14) . ?
C23 C24 1.439(12) . ?
C25 C26 1.431(11) . ?
C27 C28 1.470(13) . ?
C28 C29 1.423(16) . ?
C29 H29 0.9300 . ?
C29 C30 1.414(18) . ?
C30 H30 0.9300 . ?
C30 C31 1.40(2) . ?
C31 H31 0.9300 . ?
C31 C32 1.360(16) . ?
C32 H32 0.9300 . ?
C33 H33 0.9300 . ?
C33 C34 1.401(13) . ?
C34 H34 0.9300 . ?
C34 C35 1.389(14) . ?
C35 H35 0.9300 . ?
C35 C36 1.388(12) . ?
C36 H36 0.9300 . ?
C36 C37 1.381(12) . ?
C37 C38 1.464(10) . ?
C39 C40 1.435(10) . ?
C41 C42 1.466(10) . ?
C42 C43 1.367(11) . ?
C43 H43 0.9300 . ?
C43 C44 1.412(12) . ?
C44 H44 0.9300 . ?
C44 C45 1.326(13) . ?
C45 H45 0.9300 . ?
C45 C46 1.406(12) . ?
C46 H46 0.9300 . ?
C47 H47 0.9300 . ?
C47 C48 1.399(11) . ?
C48 H48 0.9300 . ?
C48 C49 1.399(12) . ?
C49 H49 0.9300 . ?
C49 C50 1.372(12) . ?
C50 H50 0.9300 . ?
C50 C51 1.378(10) . ?
C51 C52 1.452(10) . ?
C53 C54 1.452(10) . ?
C55 C56 1.474(10) . ?
C56 C57 1.381(11) . ?
C57 H57 0.9300 . ?
C57 C58 1.393(12) . ?
C58 H58 0.9300 . ?
C58 C59 1.393(14) . ?
C59 H59 0.9300 . ?
C59 C60 1.386(12) . ?
C60 H60 0.9300 . ?
C61 H61 0.9300 . ?
C61 C62 1.380(11) . ?
C62 H62 0.9300 . ?
C62 C63 1.380(13) . ?
C63 H63 0.9300 . ?
C63 C64 1.374(13) . ?
C64 H64 0.9300 . ?
C64 C65 1.372(11) . ?
C65 C66 1.456(11) . ?
C67 C68 1.454(11) . ?
C69 C70 1.477(10) . ?
C70 C71 1.362(12) . ?
C71 H71 0.9300 . ?
C71 C72 1.394(12) . ?
C72 H72 0.9300 . ?
C72 C73 1.359(14) . ?
C73 H73 0.9300 . ?
C73 C74 1.362(13) . ?
C74 H74 0.9300 . ?
C75 H75 0.9300 . ?
C75 C76 1.383(13) . ?
C76 H76 0.9300 . ?
C76 C77 1.367(14) . ?
C77 H77 0.9300 . ?
C77 C78 1.388(13) . ?
C78 H78 0.9300 . ?
C78 C79 1.387(12) . ?
C79 C80 1.463(11) . ?
C81 C82 1.465(10) . ?
C83 C84 1.484(9) . ?
C84 C85 1.384(12) . ?
C85 H85 0.9300 . ?
C85 C86 1.377(11) . ?
C86 H86 0.9300 . ?
C86 C87 1.379(14) . ?
C87 H87 0.9300 . ?
C87 C88 1.416(13) . ?
C88 H88 0.9300 . ?

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 Co1 O2 82.94(18) . . ?
O1 Co1 O3 82.07(18) . . ?
O1 Co1 N3 175.29(19) . . ?
O1 Co1 N22 95.18(19) . . ?
O1 Co1 N27 92.28(18) . . ?
O2 Co1 N3 92.75(19) . . ?
O2 Co1 N22 173.7(2) . . ?
O2 Co1 N27 95.62(19) . . ?
O3 Co1 O2 81.73(18) . . ?
O3 Co1 N3 95.46(19) . . ?
O3 Co1 N22 92.08(19) . . ?
O3 Co1 N27 173.99(19) . . ?
N3 Co1 N22 88.9(2) . . ?
N3 Co1 N27 90.04(19) . . ?
N27 Co1 N22 90.4(2) . . ?
O1 Co2 O2 82.38(18) . . ?
O1 Co2 N30 96.24(19) . . ?
O1 Co2 N35 93.27(19) . . ?
O1 Co2 N43 172.67(19) . . ?
O2 Co2 N30 92.45(19) . . ?
O2 Co2 N35 175.6(2) . . ?
O2 Co2 N43 93.43(19) . . ?
O4 Co2 O1 81.55(18) . . ?
O4 Co2 O2 82.28(18) . . ?
O4 Co2 N30 174.50(19) . . ?
O4 Co2 N35 97.0(2) . . ?
O4 Co2 N43 92.0(2) . . ?
N30 Co2 N43 89.9(2) . . ?
N35 Co2 N30 88.1(2) . . ?
N35 Co2 N43 90.9(2) . . ?
O2 Co3 N7 92.52(19) . . ?
O2 Co3 N11 175.4(2) . . ?
O2 Co3 N47 94.3(2) . . ?
O3 Co3 O2 81.74(19) . . ?
O3 Co3 O4 81.93(18) . . ?
O3 Co3 N7 94.44(19) . . ?
O3 Co3 N11 94.7(2) . . ?
O3 Co3 N47 175.1(2) . . ?
O4 Co3 O2 81.31(18) . . ?
O4 Co3 N7 173.22(19) . . ?
O4 Co3 N11 95.4(2) . . ?
O4 Co3 N47 94.70(19) . . ?
N11 Co3 N7 90.6(2) . . ?
N47 Co3 N7 88.6(2) . . ?
N47 Co3 N11 89.1(2) . . ?
O1 Co4 O3 80.96(18) . . ?
O1 Co4 O4 82.23(18) . . ?
O1 Co4 N13 174.3(2) . . ?
O1 Co4 N20 97.3(2) . . ?
O1 Co4 N38 91.0(2) . . ?
O3 Co4 N13 97.1(2) . . ?
O3 Co4 N20 92.44(19) . . ?
O3 Co4 N38 171.9(2) . . ?
O4 Co4 O3 81.58(18) . . ?
O4 Co4 N13 92.2(2) . . ?
O4 Co4 N20 174.00(19) . . ?
O4 Co4 N38 97.0(2) . . ?
N13 Co4 N20 88.1(2) . . ?
N13 Co4 N38 90.9(2) . . ?
N20 Co4 N38 88.9(2) . . ?
Cl2 Co5 Cl1 112.12(9) . . ?
N2 Co5 Cl1 102.90(16) . . ?
N2 Co5 Cl2 125.72(16) . . ?
N2 Co5 N5 80.1(2) . . ?
N5 Co5 Cl1 112.82(18) . . ?
N5 Co5 Cl2 119.06(16) . . ?
N6 Co6 N8 74.6(2) . . ?
N6 Co6 N9 145.8(3) . . ?
N6 Co6 N46 84.3(2) . . ?
N6 Co6 N48 118.7(2) . . ?
N9 Co6 N8 90.5(3) . . ?
N9 Co6 N48 90.7(3) . . ?
N10 Co6 N6 85.2(2) . . ?
N10 Co6 N8 122.5(3) . . ?
N10 Co6 N9 77.0(3) . . ?
N10 Co6 N46 85.8(2) . . ?
N10 Co6 N48 146.6(3) . . ?
N46 Co6 N8 142.0(2) . . ?
N46 Co6 N9 122.6(3) . . ?
N46 Co6 N48 74.7(2) . . ?
N48 Co6 N8 88.1(2) . . ?
Cl4 Co7 Cl3 100.7(5) . . ?
Cl4 Co7 Cl4' 71.1(7) . . ?
Cl4 Co7 N12 107.7(6) . . ?
Cl4 Co7 N15 154.3(6) . . ?
Cl4' Co7 Cl3 94.8(5) . . ?
N12 Co7 Cl3 98.4(3) . . ?
N12 Co7 Cl4' 166.8(5) . . ?
N15 Co7 Cl3 103.4(3) . . ?
N15 Co7 Cl4' 97.8(5) . . ?
N15 Co7 N12 77.7(3) . . ?
N14 Co8 N16 76.3(3) . . ?
N14 Co8 N17 113.7(3) . . ?
N14 Co8 N19 84.3(3) . . ?
N14 Co8 N39 84.7(3) . . ?
N14 Co8 N40 150.2(3) . . ?
N16 Co8 N17 89.5(3) . . ?
N16 Co8 N40 92.1(3) . . ?
N19 Co8 N16 148.1(3) . . ?
N19 Co8 N17 75.5(2) . . ?
N19 Co8 N40 116.2(3) . . ?
N39 Co8 N16 117.0(3) . . ?
N39 Co8 N17 151.4(3) . . ?
N39 Co8 N19 85.5(2) . . ?
N39 Co8 N40 76.3(2) . . ?
N40 Co8 N17 93.1(2) . . ?
Cl6 Co9 Cl5 112.92(11) . . ?
N18 Co9 Cl5 108.7(2) . . ?
N18 Co9 Cl6 120.7(2) . . ?
N18 Co9 N21 80.6(3) . . ?
N21 Co9 Cl5 115.6(2) . . ?
N21 Co9 Cl6 114.7(2) . . ?
N1 Co10 N24 86.5(2) . . ?
N4 Co10 N1 75.0(2) . . ?
N4 Co10 N24 109.6(2) . . ?
N4 Co10 N25 146.2(2) . . ?
N4 Co10 N26 84.7(2) . . ?
N23 Co10 N1 147.0(2) . . ?
N23 Co10 N4 84.6(2) . . ?
N23 Co10 N24 76.1(2) . . ?
N23 Co10 N25 121.2(2) . . ?
N23 Co10 N26 87.1(2) . . ?
N25 Co10 N1 88.6(2) . . ?
N25 Co10 N24 98.4(2) . . ?
N26 Co10 N1 115.9(2) . . ?
N26 Co10 N24 156.4(2) . . ?
N26 Co10 N25 76.1(2) . . ?
Cl8 Co11 Cl7 111.4(3) . . ?
N28 Co11 Cl7 116.0(2) . . ?
N28 Co11 Cl8 105.7(2) . . ?
N28 Co11 N29 80.7(2) . . ?
N29 Co11 Cl7 114.0(2) . . ?
N29 Co11 Cl8 125.0(2) . . ?
N31 Co12 N32 74.9(2) . . ?
N31 Co12 N33 116.1(2) . . ?
N31 Co12 N41 148.3(2) . . ?
N32 Co12 N41 92.6(3) . . ?
N33 Co12 N32 88.6(2) . . ?
N33 Co12 N41 92.1(2) . . ?
N34 Co12 N31 85.3(2) . . ?
N34 Co12 N32 146.4(3) . . ?
N34 Co12 N33 75.9(2) . . ?
N34 Co12 N41 117.2(3) . . ?
N34 Co12 N42 85.5(2) . . ?
N42 Co12 N31 85.2(2) . . ?
N42 Co12 N32 118.8(2) . . ?
N42 Co12 N33 149.8(3) . . ?
N42 Co12 N41 75.3(2) . . ?
Cl10 Co13 Cl9 114.2(4) . . ?
Cl10 Co13 N36 114.7(4) . . ?
Cl10 Co13 N37 113.9(4) . . ?
N36 Co13 Cl9 114.4(3) . . ?
N36 Co13 N37 80.2(3) . . ?
N37 Co13 Cl9 115.1(3) . . ?
Cl12 Co14 Cl11 119.3(3) . . ?
N44 Co14 Cl11 111.8(3) . . ?
N44 Co14 Cl12 110.4(3) . . ?
N44 Co14 N45 79.9(2) . . ?
N45 Co14 Cl11 115.7(2) . . ?
N45 Co14 Cl12 113.1(2) . . ?
Co1 O1 Co2 97.97(18) . . ?
Co1 O1 Co4 98.75(18) . . ?
Co4 O1 Co2 97.35(19) . . ?
C1 O1 Co1 116.5(5) . . ?
C1 O1 Co2 121.4(4) . . ?
C1 O1 Co4 120.1(5) . . ?
Co2 O2 Co1 95.6(2) . . ?
Co2 O2 Co3 97.0(2) . . ?
Co3 O2 Co1 96.2(2) . . ?
C2 O2 Co1 121.1(5) . . ?
C2 O2 Co2 118.2(4) . . ?
C2 O2 Co3 122.7(4) . . ?
Co1 O3 Co3 99.6(2) . . ?
Co1 O3 Co4 97.09(19) . . ?
Co3 O3 Co4 97.6(2) . . ?
C3 O3 Co1 120.7(5) . . ?
C3 O3 Co3 116.7(5) . . ?
C3 O3 Co4 120.4(5) . . ?
Co2 O4 Co3 98.6(2) . . ?
Co2 O4 Co4 97.6(2) . . ?
Co4 O4 Co3 97.41(19) . . ?
C4 O4 Co2 118.3(5) . . ?
C4 O4 Co3 122.6(5) . . ?
C4 O4 Co4 117.3(5) . . ?
C5 N1 Co10 129.4(5) . . ?
C5 N1 C9 116.6(6) . . ?
C9 N1 Co10 113.7(4) . . ?
C10 N2 Co5 137.2(4) . . ?
C10 N2 C11 102.3(5) . . ?
C11 N2 Co5 113.3(4) . . ?
N4 N3 Co1 117.0(4) . . ?
C11 N3 Co1 137.1(4) . . ?
C11 N3 N4 104.2(5) . . ?
N3 N4 Co10 134.4(4) . . ?
C10 N4 Co10 117.4(4) . . ?
C10 N4 N3 107.6(5) . . ?
C12 N5 Co5 114.0(4) . . ?
C13 N5 Co5 143.9(4) . . ?
C13 N5 C12 102.1(5) . . ?
N7 N6 Co6 133.5(4) . . ?
C13 N6 Co6 117.9(4) . . ?
C13 N6 N7 108.1(5) . . ?
N6 N7 Co3 119.6(4) . . ?
C12 N7 Co3 136.1(4) . . ?
C12 N7 N6 104.2(5) . . ?
C14 N8 Co6 113.3(4) . . ?
C18 N8 Co6 129.9(6) . . ?
C18 N8 C14 116.4(7) . . ?
C19 N9 Co6 129.1(7) . . ?
C19 N9 C23 117.4(8) . . ?
C23 N9 Co6 113.1(5) . . ?
N11 N10 Co6 137.0(5) . . ?
C24 N10 Co6 115.1(5) . . ?
C24 N10 N11 107.8(6) . . ?
N10 N11 Co3 117.7(5) . . ?
C25 N11 Co3 136.8(5) . . ?
C25 N11 N10 104.9(6) . . ?
C24 N12 Co7 143.9(5) . . ?
C24 N12 C25 101.7(7) . . ?
C25 N12 Co7 114.4(5) . . ?
N14 N13 Co4 115.4(5) . . ?
C26 N13 Co4 137.4(5) . . ?
C26 N13 N14 105.2(6) . . ?
N13 N14 Co8 134.5(5) . . ?
C27 N14 Co8 116.3(6) . . ?
C27 N14 N13 107.2(7) . . ?
C26 N15 Co7 113.2(5) . . ?
C27 N15 Co7 140.6(6) . . ?
C27 N15 C26 102.4(7) . . ?
C28 N16 Co8 113.1(6) . . ?
C28 N16 C32 119.2(9) . . ?
C32 N16 Co8 127.6(7) . . ?
C33 N17 Co8 127.7(6) . . ?
C33 N17 C37 118.5(7) . . ?
C37 N17 Co8 113.8(5) . . ?
C38 N18 Co9 143.1(5) . . ?
C38 N18 C39 102.7(6) . . ?
C39 N18 Co9 113.7(5) . . ?
N20 N19 Co8 133.4(5) . . ?
C38 N19 Co8 118.0(5) . . ?
C38 N19 N20 108.5(6) . . ?
N19 N20 Co4 116.7(5) . . ?
C39 N20 Co4 133.0(5) . . ?
C39 N20 N19 104.1(5) . . ?
C40 N21 Co9 113.4(5) . . ?
C41 N21 Co9 144.2(5) . . ?
C41 N21 C40 102.3(6) . . ?
N23 N22 Co1 116.1(4) . . ?
C40 N22 Co1 132.0(5) . . ?
C40 N22 N23 103.5(5) . . ?
N22 N23 Co10 133.3(4) . . ?
C41 N23 Co10 117.6(5) . . ?
C41 N23 N22 109.1(6) . . ?
C42 N24 Co10 112.8(5) . . ?
C46 N24 Co10 129.7(5) . . ?
C46 N24 C42 117.5(7) . . ?
C47 N25 Co10 127.9(5) . . ?
C47 N25 C51 117.7(6) . . ?
C51 N25 Co10 113.9(5) . . ?
N27 N26 Co10 135.0(4) . . ?
C52 N26 Co10 114.5(5) . . ?
C52 N26 N27 108.5(5) . . ?
N26 N27 Co1 116.5(4) . . ?
C53 N27 Co1 138.6(5) . . ?
C53 N27 N26 104.6(5) . . ?
C52 N28 Co11 143.4(5) . . ?
C52 N28 C53 102.8(6) . . ?
C53 N28 Co11 113.5(5) . . ?
C54 N29 Co11 111.2(5) . . ?
C55 N29 Co11 143.7(5) . . ?
C55 N29 C54 103.3(6) . . ?
N31 N30 Co2 117.2(4) . . ?
C54 N30 Co2 138.4(4) . . ?
C54 N30 N31 104.1(5) . . ?
N30 N31 Co12 133.4(5) . . ?
C55 N31 Co12 115.8(4) . . ?
C55 N31 N30 108.0(6) . . ?
C56 N32 Co12 113.9(5) . . ?
C56 N32 C60 118.3(7) . . ?
C60 N32 Co12 127.7(6) . . ?
C61 N33 Co12 128.7(5) . . ?
C61 N33 C65 117.2(6) . . ?
C65 N33 Co12 114.0(5) . . ?
N35 N34 Co12 134.6(4) . . ?
C66 N34 Co12 116.8(5) . . ?
C66 N34 N35 108.5(6) . . ?
N34 N35 Co2 117.9(4) . . ?
C67 N35 Co2 134.8(5) . . ?
C67 N35 N34 103.7(5) . . ?
C66 N36 Co13 142.8(6) . . ?
C66 N36 C67 102.5(6) . . ?
C67 N36 Co13 113.9(5) . . ?
C68 N37 Co13 113.3(5) . . ?
C69 N37 Co13 144.3(6) . . ?
C69 N37 C68 102.0(7) . . ?
N39 N38 Co4 116.6(4) . . ?
C68 N38 Co4 135.5(5) . . ?
C68 N38 N39 104.1(6) . . ?
N38 N39 Co8 134.3(5) . . ?
C69 N39 Co8 117.4(5) . . ?
C69 N39 N38 108.1(6) . . ?
C70 N40 Co8 113.8(5) . . ?
C74 N40 Co8 129.1(6) . . ?
C74 N40 C70 117.0(7) . . ?
C75 N41 Co12 128.5(6) . . ?
C75 N41 C79 117.5(7) . . ?
C79 N41 Co12 114.0(5) . . ?
N43 N42 Co12 134.0(5) . . ?
C80 N42 Co12 117.0(5) . . ?
C80 N42 N43 108.5(6) . . ?
N42 N43 Co2 117.0(4) . . ?
C81 N43 Co2 137.3(5) . . ?
C81 N43 N42 103.8(5) . . ?
C80 N44 Co14 140.1(5) . . ?
C80 N44 C81 102.0(6) . . ?
C81 N44 Co14 114.9(5) . . ?
C82 N45 Co14 112.8(4) . . ?
C83 N45 Co14 143.2(5) . . ?
C83 N45 C82 102.5(6) . . ?
N47 N46 Co6 135.2(5) . . ?
C83 N46 Co6 118.1(4) . . ?
C83 N46 N47 106.1(6) . . ?
N46 N47 Co3 117.9(4) . . ?
C82 N47 Co3 136.2(5) . . ?
C82 N47 N46 105.7(5) . . ?
C84 N48 Co6 113.8(5) . . ?
C88 N48 Co6 128.7(6) . . ?
C88 N48 C84 117.5(7) . . ?
O1 C1 H1A 109.5 . . ?
O1 C1 H1B 109.5 . . ?
O1 C1 H1C 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1B C1 H1C 109.5 . . ?
O2 C2 H2A 109.5 . . ?
O2 C2 H2B 109.5 . . ?
O2 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
O3 C3 H3A 109.5 . . ?
O3 C3 H3B 109.5 . . ?
O3 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
O4 C4 H4A 109.5 . . ?
O4 C4 H4B 109.5 . . ?
O4 C4 H4C 109.5 . . ?
H4A C4 H4B 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
N1 C5 H5 118.2 . . ?
N1 C5 C6 123.7(7) . . ?
C6 C5 H5 118.2 . . ?
C5 C6 H6 120.5 . . ?
C5 C6 C7 119.1(7) . . ?
C7 C6 H6 120.5 . . ?
C6 C7 H7 120.6 . . ?
C8 C7 C6 118.8(7) . . ?
C8 C7 H7 120.6 . . ?
C7 C8 H8 120.7 . . ?
C7 C8 C9 118.5(7) . . ?
C9 C8 H8 120.7 . . ?
N1 C9 C8 123.2(6) . . ?
N1 C9 C10 113.0(6) . . ?
C8 C9 C10 123.8(6) . . ?
N2 C10 C9 129.5(6) . . ?
N4 C10 N2 111.9(6) . . ?
N4 C10 C9 118.2(6) . . ?
N2 C11 C12 114.9(5) . . ?
N3 C11 N2 113.9(6) . . ?
N3 C11 C12 131.0(6) . . ?
N5 C12 C11 114.6(6) . . ?
N7 C12 N5 113.2(5) . . ?
N7 C12 C11 132.3(6) . . ?
N5 C13 C14 128.4(6) . . ?
N6 C13 N5 112.5(6) . . ?
N6 C13 C14 119.0(6) . . ?
N8 C14 C13 112.6(6) . . ?
N8 C14 C15 123.7(6) . . ?
C15 C14 C13 123.6(7) . . ?
C14 C15 H15 120.6 . . ?
C14 C15 C16 118.8(8) . . ?
C16 C15 H15 120.6 . . ?
C15 C16 H16 120.7 . . ?
C15 C16 C17 118.5(8) . . ?
C17 C16 H16 120.7 . . ?
C16 C17 H17 120.6 . . ?
C16 C17 C18 118.8(7) . . ?
C18 C17 H17 120.6 . . ?
N8 C18 C17 123.7(8) . . ?
N8 C18 H18 118.2 . . ?
C17 C18 H18 118.2 . . ?
N9 C19 H19 118.8 . . ?
N9 C19 C20 122.4(10) . . ?
C20 C19 H19 118.8 . . ?
C19 C20 H20 120.0 . . ?
C21 C20 C19 120.1(10) . . ?
C21 C20 H20 120.0 . . ?
C20 C21 H21 119.9 . . ?
C20 C21 C22 120.1(11) . . ?
C22 C21 H21 119.9 . . ?
C21 C22 H22 121.9 . . ?
C23 C22 C21 116.3(11) . . ?
C23 C22 H22 121.9 . . ?
N9 C23 C24 113.5(8) . . ?
C22 C23 N9 123.7(9) . . ?
C22 C23 C24 122.8(10) . . ?
N10 C24 N12 112.2(7) . . ?
N10 C24 C23 119.8(8) . . ?
N12 C24 C23 127.6(8) . . ?
N11 C25 N12 113.5(7) . . ?
N11 C25 C26 131.5(7) . . ?
N12 C25 C26 114.9(7) . . ?
N13 C26 N15 111.9(7) . . ?
N13 C26 C25 131.6(7) . . ?
N15 C26 C25 116.5(7) . . ?
N14 C27 N15 113.3(8) . . ?
N14 C27 C28 116.3(9) . . ?
N15 C27 C28 130.2(9) . . ?
N16 C28 C27 114.9(9) . . ?
N16 C28 C29 124.3(10) . . ?
C29 C28 C27 120.4(11) . . ?
C28 C29 H29 122.8 . . ?
C30 C29 C28 114.4(13) . . ?
C30 C29 H29 122.8 . . ?
C29 C30 H30 119.8 . . ?
C31 C30 C29 120.5(13) . . ?
C31 C30 H30 119.8 . . ?
C30 C31 H31 120.4 . . ?
C32 C31 C30 119.2(11) . . ?
C32 C31 H31 120.4 . . ?
N16 C32 C31 122.3(12) . . ?
N16 C32 H32 118.9 . . ?
C31 C32 H32 118.9 . . ?
N17 C33 H33 118.7 . . ?
N17 C33 C34 122.5(9) . . ?
C34 C33 H33 118.7 . . ?
C33 C34 H34 121.2 . . ?
C35 C34 C33 117.6(8) . . ?
C35 C34 H34 121.2 . . ?
C34 C35 H35 119.8 . . ?
C36 C35 C34 120.4(9) . . ?
C36 C35 H35 119.8 . . ?
C35 C36 H36 120.9 . . ?
C37 C36 C35 118.1(8) . . ?
C37 C36 H36 120.9 . . ?
N17 C37 C36 122.8(7) . . ?
N17 C37 C38 113.7(7) . . ?
C36 C37 C38 123.4(8) . . ?
N18 C38 C37 129.4(7) . . ?
N19 C38 N18 112.0(6) . . ?
N19 C38 C37 118.3(7) . . ?
N18 C39 C40 115.7(6) . . ?
N20 C39 N18 112.7(6) . . ?
N20 C39 C40 131.6(6) . . ?
N21 C40 C39 116.0(6) . . ?
N22 C40 N21 113.2(6) . . ?
N22 C40 C39 130.8(6) . . ?
N21 C41 C42 127.8(6) . . ?
N23 C41 N21 111.8(6) . . ?
N23 C41 C42 120.1(6) . . ?
N24 C42 C41 113.1(6) . . ?
N24 C42 C43 123.2(7) . . ?
C43 C42 C41 123.4(7) . . ?
C42 C43 H43 120.9 . . ?
C42 C43 C44 118.3(8) . . ?
C44 C43 H43 120.9 . . ?
C43 C44 H44 120.8 . . ?
C45 C44 C43 118.4(8) . . ?
C45 C44 H44 120.8 . . ?
C44 C45 H45 119.6 . . ?
C44 C45 C46 120.9(8) . . ?
C46 C45 H45 119.6 . . ?
N24 C46 C45 121.8(8) . . ?
N24 C46 H46 119.1 . . ?
C45 C46 H46 119.1 . . ?
N25 C47 H47 118.2 . . ?
N25 C47 C48 123.7(7) . . ?
C48 C47 H47 118.2 . . ?
C47 C48 H48 121.3 . . ?
C49 C48 C47 117.3(7) . . ?
C49 C48 H48 121.3 . . ?
C48 C49 H49 120.3 . . ?
C50 C49 C48 119.3(7) . . ?
C50 C49 H49 120.3 . . ?
C49 C50 H50 120.3 . . ?
C49 C50 C51 119.4(8) . . ?
C51 C50 H50 120.3 . . ?
N25 C51 C50 122.4(7) . . ?
N25 C51 C52 113.3(6) . . ?
C50 C51 C52 124.2(7) . . ?
N26 C52 N28 111.1(6) . . ?
N26 C52 C51 117.9(6) . . ?
N28 C52 C51 131.0(6) . . ?
N27 C53 N28 113.0(6) . . ?
N27 C53 C54 131.7(6) . . ?
N28 C53 C54 115.3(6) . . ?
N29 C54 C53 117.8(6) . . ?
N30 C54 N29 112.7(6) . . ?
N30 C54 C53 129.5(6) . . ?
N29 C55 C56 130.7(7) . . ?
N31 C55 N29 111.9(6) . . ?
N31 C55 C56 117.1(7) . . ?
N32 C56 C55 113.1(7) . . ?
N32 C56 C57 122.7(7) . . ?
C57 C56 C55 124.0(7) . . ?
C56 C57 H57 120.5 . . ?
C56 C57 C58 119.0(9) . . ?
C58 C57 H57 120.5 . . ?
C57 C58 H58 120.8 . . ?
C59 C58 C57 118.5(8) . . ?
C59 C58 H58 120.8 . . ?
C58 C59 H59 120.3 . . ?
C60 C59 C58 119.4(8) . . ?
C60 C59 H59 120.3 . . ?
N32 C60 C59 122.1(9) . . ?
N32 C60 H60 119.0 . . ?
C59 C60 H60 119.0 . . ?
N33 C61 H61 118.7 . . ?
N33 C61 C62 122.6(7) . . ?
C62 C61 H61 118.7 . . ?
C61 C62 H62 120.4 . . ?
C61 C62 C63 119.3(8) . . ?
C63 C62 H62 120.4 . . ?
C62 C63 H63 120.7 . . ?
C64 C63 C62 118.6(8) . . ?
C64 C63 H63 120.7 . . ?
C63 C64 H64 120.4 . . ?
C65 C64 C63 119.1(8) . . ?
C65 C64 H64 120.4 . . ?
N33 C65 C64 123.0(7) . . ?
N33 C65 C66 112.2(6) . . ?
C64 C65 C66 124.8(7) . . ?
N34 C66 N36 111.9(7) . . ?
N34 C66 C65 120.3(7) . . ?
N36 C66 C65 127.7(7) . . ?
N35 C67 N36 113.4(6) . . ?
N35 C67 C68 130.9(7) . . ?
N36 C67 C68 115.7(6) . . ?
N37 C68 C67 115.4(7) . . ?
N38 C68 N37 113.1(7) . . ?
N38 C68 C67 131.5(7) . . ?
N37 C69 C70 128.6(7) . . ?
N39 C69 N37 112.6(7) . . ?
N39 C69 C70 118.8(7) . . ?
N40 C70 C69 112.9(7) . . ?
N40 C70 C71 123.2(7) . . ?
C71 C70 C69 124.0(8) . . ?
C70 C71 H71 121.3 . . ?
C70 C71 C72 117.5(9) . . ?
C72 C71 H71 121.3 . . ?
C71 C72 H72 119.8 . . ?
C73 C72 C71 120.3(9) . . ?
C73 C72 H72 119.8 . . ?
C72 C73 H73 120.8 . . ?
C72 C73 C74 118.4(8) . . ?
C74 C73 H73 120.8 . . ?
N40 C74 C73 123.6(8) . . ?
N40 C74 H74 118.2 . . ?
C73 C74 H74 118.2 . . ?
N41 C75 H75 119.4 . . ?
N41 C75 C76 121.1(9) . . ?
C76 C75 H75 119.4 . . ?
C75 C76 H76 119.5 . . ?
C77 C76 C75 121.0(8) . . ?
C77 C76 H76 119.5 . . ?
C76 C77 H77 120.7 . . ?
C76 C77 C78 118.7(9) . . ?
C78 C77 H77 120.7 . . ?
C77 C78 H78 121.2 . . ?
C79 C78 C77 117.6(9) . . ?
C79 C78 H78 121.2 . . ?
N41 C79 C78 123.8(7) . . ?
N41 C79 C80 112.5(7) . . ?
C78 C79 C80 123.5(8) . . ?
N42 C80 N44 111.8(6) . . ?
N42 C80 C79 119.5(7) . . ?
N44 C80 C79 128.5(7) . . ?
N43 C81 N44 113.7(6) . . ?
N43 C81 C82 131.0(6) . . ?
N44 C81 C82 115.2(6) . . ?
N45 C82 C81 115.3(6) . . ?
N47 C82 N45 112.2(6) . . ?
N47 C82 C81 132.5(6) . . ?
N45 C83 C84 128.6(7) . . ?
N46 C83 N45 113.5(6) . . ?
N46 C83 C84 117.6(6) . . ?
N48 C84 C83 113.4(7) . . ?
N48 C84 C85 123.3(7) . . ?
C85 C84 C83 122.7(7) . . ?
C84 C85 H85 120.7 . . ?
C86 C85 C84 118.6(8) . . ?
C86 C85 H85 120.7 . . ?
C85 C86 H86 120.2 . . ?
C85 C86 C87 119.5(9) . . ?
C87 C86 H86 120.2 . . ?
C86 C87 H87 120.8 . . ?
C86 C87 C88 118.4(8) . . ?
C88 C87 H87 120.8 . . ?
N48 C88 C87 122.6(8) . . ?
N48 C88 H88 118.7 . . ?
C87 C88 H88 118.7 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
Co1 N3 N4 Co10 -22.4(7) . . . . ?
Co1 N3 N4 C10 166.3(4) . . . . ?
Co1 N3 C11 N2 -162.9(5) . . . . ?
Co1 N3 C11 C12 22.9(11) . . . . ?
Co1 N22 N23 Co10 -27.1(7) . . . . ?
Co1 N22 N23 C41 151.0(5) . . . . ?
Co1 N22 C40 N21 -144.0(5) . . . . ?
Co1 N22 C40 C39 38.0(11) . . . . ?
Co1 N27 C53 N28 -173.5(4) . . . . ?
Co1 N27 C53 C54 8.0(11) . . . . ?
Co2 N30 N31 Co12 -25.9(7) . . . . ?
Co2 N30 N31 C55 174.5(4) . . . . ?
Co2 N30 C54 N29 -174.0(4) . . . . ?
Co2 N30 C54 C53 6.1(11) . . . . ?
Co2 N35 C67 N36 -155.8(6) . . . . ?
Co2 N35 C67 C68 26.0(15) . . . . ?
Co2 N43 C81 N44 -161.9(5) . . . . ?
Co2 N43 C81 C82 21.1(13) . . . . ?
Co3 N7 C12 N5 -174.8(4) . . . . ?
Co3 N7 C12 C11 6.2(11) . . . . ?
Co3 N11 C25 N12 -170.6(6) . . . . ?
Co3 N11 C25 C26 4.7(15) . . . . ?
Co3 N47 C82 N45 -174.0(5) . . . . ?
Co3 N47 C82 C81 7.1(13) . . . . ?
Co4 N13 N14 Co8 32.8(9) . . . . ?
Co4 N13 N14 C27 -164.6(6) . . . . ?
Co4 N13 C26 N15 161.6(6) . . . . ?
Co4 N13 C26 C25 -17.9(15) . . . . ?
Co4 N20 C39 N18 150.4(5) . . . . ?
Co4 N20 C39 C40 -33.0(12) . . . . ?
Co4 N38 N39 Co8 25.9(9) . . . . ?
Co4 N38 N39 C69 -159.5(6) . . . . ?
Co4 N38 C68 N37 155.0(6) . . . . ?
Co4 N38 C68 C67 -26.9(16) . . . . ?
Co5 N2 C10 N4 145.3(5) . . . . ?
Co5 N2 C10 C9 -41.1(10) . . . . ?
Co5 N2 C11 N3 -155.6(4) . . . . ?
Co5 N2 C11 C12 19.6(7) . . . . ?
Co5 N5 C12 N7 -178.9(4) . . . . ?
Co5 N5 C12 C11 0.3(7) . . . . ?
Co5 N5 C13 N6 178.3(6) . . . . ?
Co5 N5 C13 C14 -5.0(13) . . . . ?
Co6 N6 N7 Co3 -12.4(8) . . . . ?
Co6 N6 N7 C12 171.7(5) . . . . ?
Co6 N6 C13 N5 -173.0(4) . . . . ?
Co6 N6 C13 C14 10.1(8) . . . . ?
Co6 N8 C14 C13 -13.7(8) . . . . ?
Co6 N8 C14 C15 170.4(6) . . . . ?
Co6 N8 C18 C17 -169.0(7) . . . . ?
Co6 N9 C19 C20 -169.4(9) . . . . ?
Co6 N9 C23 C22 170.6(10) . . . . ?
Co6 N9 C23 C24 -11.4(11) . . . . ?
Co6 N10 N11 Co3 -3.4(10) . . . . ?
Co6 N10 N11 C25 -176.0(6) . . . . ?
Co6 N10 C24 N12 177.3(6) . . . . ?
Co6 N10 C24 C23 4.2(11) . . . . ?
Co6 N46 N47 Co3 -16.0(8) . . . . ?
Co6 N46 N47 C82 168.9(5) . . . . ?
Co6 N46 C83 N45 -170.0(5) . . . . ?
Co6 N46 C83 C84 15.7(9) . . . . ?
Co6 N48 C84 C83 -7.0(8) . . . . ?
Co6 N48 C84 C85 -178.3(6) . . . . ?
Co6 N48 C88 C87 177.3(6) . . . . ?
Co7 N12 C24 N10 176.9(8) . . . . ?
Co7 N12 C24 C23 -10.6(19) . . . . ?
Co7 N12 C25 N11 -177.9(6) . . . . ?
Co7 N12 C25 C26 6.0(10) . . . . ?
Co7 N15 C26 N13 161.4(6) . . . . ?
Co7 N15 C26 C25 -19.1(10) . . . . ?
Co7 N15 C27 N14 -151.9(8) . . . . ?
Co7 N15 C27 C28 32(2) . . . . ?
Co8 N14 C27 N15 163.2(7) . . . . ?
Co8 N14 C27 C28 -20.2(12) . . . . ?
Co8 N16 C28 C27 1.4(13) . . . . ?
Co8 N16 C28 C29 174.0(11) . . . . ?
Co8 N16 C32 C31 -177.6(11) . . . . ?
Co8 N17 C33 C34 -178.8(7) . . . . ?
Co8 N17 C37 C36 177.9(7) . . . . ?
Co8 N17 C37 C38 1.2(9) . . . . ?
Co8 N19 N20 Co4 27.6(8) . . . . ?
Co8 N19 N20 C39 -176.3(5) . . . . ?
Co8 N19 C38 N18 176.4(5) . . . . ?
Co8 N19 C38 C37 -9.4(10) . . . . ?
Co8 N39 C69 N37 173.3(7) . . . . ?
Co8 N39 C69 C70 -7.4(12) . . . . ?
Co8 N40 C70 C69 6.4(11) . . . . ?
Co8 N40 C70 C71 -174.7(9) . . . . ?
Co8 N40 C74 C73 174.1(8) . . . . ?
Co9 N18 C38 N19 171.5(7) . . . . ?
Co9 N18 C38 C37 -2.0(16) . . . . ?
Co9 N18 C39 N20 -174.5(5) . . . . ?
Co9 N18 C39 C40 8.4(9) . . . . ?
Co9 N21 C40 N22 179.2(5) . . . . ?
Co9 N21 C40 C39 -2.4(8) . . . . ?
Co9 N21 C41 N23 179.5(6) . . . . ?
Co9 N21 C41 C42 -6.7(14) . . . . ?
Co10 N1 C5 C6 -171.2(6) . . . . ?
Co10 N1 C9 C8 172.7(5) . . . . ?
Co10 N1 C9 C10 -10.3(7) . . . . ?
Co10 N4 C10 N2 -171.6(4) . . . . ?
Co10 N4 C10 C9 14.0(7) . . . . ?
Co10 N23 C41 N21 178.7(5) . . . . ?
Co10 N23 C41 C42 4.4(9) . . . . ?
Co10 N24 C42 C41 -3.8(8) . . . . ?
Co10 N24 C42 C43 -177.1(7) . . . . ?
Co10 N24 C46 C45 176.4(7) . . . . ?
Co10 N25 C47 C48 -169.3(6) . . . . ?
Co10 N25 C51 C50 171.2(6) . . . . ?
Co10 N25 C51 C52 -12.7(7) . . . . ?
Co10 N26 N27 Co1 -23.4(7) . . . . ?
Co10 N26 N27 C53 161.7(5) . . . . ?
Co10 N26 C52 N28 -164.7(4) . . . . ?
Co10 N26 C52 C51 17.7(8) . . . . ?
Co11 N28 C52 N26 170.1(6) . . . . ?
Co11 N28 C52 C51 -12.7(13) . . . . ?
Co11 N28 C53 N27 -173.3(4) . . . . ?
Co11 N28 C53 C54 5.4(7) . . . . ?
Co11 N29 C54 N30 -166.4(4) . . . . ?
Co11 N29 C54 C53 13.5(7) . . . . ?
Co11 N29 C55 N31 159.6(6) . . . . ?
Co11 N29 C55 C56 -27.0(13) . . . . ?
Co12 N31 C55 N29 -162.3(4) . . . . ?
Co12 N31 C55 C56 23.3(7) . . . . ?
Co12 N32 C56 C55 -9.2(7) . . . . ?
Co12 N32 C56 C57 176.4(5) . . . . ?
Co12 N32 C60 C59 -175.4(5) . . . . ?
Co12 N33 C61 C62 -171.3(8) . . . . ?
Co12 N33 C65 C64 171.3(8) . . . . ?
Co12 N33 C65 C66 -9.6(10) . . . . ?
Co12 N34 N35 Co2 -17.4(9) . . . . ?
Co12 N34 N35 C67 -179.1(6) . . . . ?
Co12 N34 C66 N36 179.0(6) . . . . ?
Co12 N34 C66 C65 3.0(11) . . . . ?
Co12 N41 C75 C76 176.3(7) . . . . ?
Co12 N41 C79 C78 -178.1(7) . . . . ?
Co12 N41 C79 C80 -3.5(9) . . . . ?
Co12 N42 N43 Co2 -24.2(8) . . . . ?
Co12 N42 N43 C81 168.6(5) . . . . ?
Co12 N42 C80 N44 -170.1(5) . . . . ?
Co12 N42 C80 C79 14.9(10) . . . . ?
Co13 N36 C66 N34 -167.6(8) . . . . ?
Co13 N36 C66 C65 8.0(18) . . . . ?
Co13 N36 C67 N35 171.1(6) . . . . ?
Co13 N36 C67 C68 -10.5(11) . . . . ?
Co13 N37 C68 N38 -174.3(6) . . . . ?
Co13 N37 C68 C67 7.2(11) . . . . ?
Co13 N37 C69 N39 172.6(9) . . . . ?
Co13 N37 C69 C70 -7(2) . . . . ?
Co14 N44 C80 N42 156.3(7) . . . . ?
Co14 N44 C80 C79 -29.2(15) . . . . ?
Co14 N44 C81 N43 -164.5(5) . . . . ?
Co14 N44 C81 C82 13.0(9) . . . . ?
Co14 N45 C82 N47 -168.0(5) . . . . ?
Co14 N45 C82 C81 11.0(8) . . . . ?
Co14 N45 C83 N46 161.6(7) . . . . ?
Co14 N45 C83 C84 -24.9(14) . . . . ?
Cl1 Co5 N2 C10 -47.4(7) . . . . ?
Cl1 Co5 N2 C11 96.3(4) . . . . ?
Cl1 Co5 N5 C12 -92.2(4) . . . . ?
Cl1 Co5 N5 C13 89.1(8) . . . . ?
Cl2 Co5 N2 C10 82.4(7) . . . . ?
Cl2 Co5 N2 C11 -133.9(4) . . . . ?
Cl2 Co5 N5 C12 133.3(4) . . . . ?
Cl2 Co5 N5 C13 -45.5(8) . . . . ?
Cl3 Co7 N12 C24 68.5(12) . . . . ?
Cl3 Co7 N12 C25 -114.2(6) . . . . ?
Cl3 Co7 N15 C26 112.4(7) . . . . ?
Cl3 Co7 N15 C27 -94.6(12) . . . . ?
Cl4 Co7 N12 C24 -35.6(13) . . . . ?
Cl4 Co7 N12 C25 141.8(8) . . . . ?
Cl4 Co7 N15 C26 -88.6(15) . . . . ?
Cl4 Co7 N15 C27 64.4(19) . . . . ?
Cl4' Co7 N12 C24 -118(2) . . . . ?
Cl4' Co7 N12 C25 59(2) . . . . ?
Cl4' Co7 N15 C26 -150.7(8) . . . . ?
Cl4' Co7 N15 C27 2.2(12) . . . . ?
Cl5 Co9 N18 C38 -63.2(10) . . . . ?
Cl5 Co9 N18 C39 106.6(5) . . . . ?
Cl5 Co9 N21 C40 -101.0(5) . . . . ?
Cl5 Co9 N21 C41 80.3(9) . . . . ?
Cl6 Co9 N18 C38 69.6(10) . . . . ?
Cl6 Co9 N18 C39 -120.7(5) . . . . ?
Cl6 Co9 N21 C40 124.9(5) . . . . ?
Cl6 Co9 N21 C41 -53.8(9) . . . . ?
Cl7 Co11 N28 C52 -58.0(9) . . . . ?
Cl7 Co11 N28 C53 113.5(5) . . . . ?
Cl7 Co11 N29 C54 -122.3(4) . . . . ?
Cl7 Co11 N29 C55 76.9(8) . . . . ?
Cl8 Co11 N28 C52 65.9(8) . . . . ?
Cl8 Co11 N28 C53 -122.6(5) . . . . ?
Cl8 Co11 N29 C54 94.7(5) . . . . ?
Cl8 Co11 N29 C55 -66.1(9) . . . . ?
Cl9 Co13 N36 C66 -68.8(12) . . . . ?
Cl9 Co13 N36 C67 124.3(6) . . . . ?
Cl9 Co13 N37 C68 -122.4(7) . . . . ?
Cl9 Co13 N37 C69 66.9(13) . . . . ?
Cl10 Co13 N36 C66 66.0(12) . . . . ?
Cl10 Co13 N36 C67 -100.9(7) . . . . ?
Cl10 Co13 N37 C68 102.9(7) . . . . ?
Cl10 Co13 N37 C69 -67.8(13) . . . . ?
Cl11 Co14 N44 C80 84.6(10) . . . . ?
Cl11 Co14 N44 C81 -119.2(6) . . . . ?
Cl11 Co14 N45 C82 106.1(5) . . . . ?
Cl11 Co14 N45 C83 -56.4(10) . . . . ?
Cl12 Co14 N44 C80 -50.6(10) . . . . ?
Cl12 Co14 N44 C81 105.5(6) . . . . ?
Cl12 Co14 N45 C82 -111.2(6) . . . . ?
Cl12 Co14 N45 C83 86.2(10) . . . . ?
O1 Co1 O2 Co2 -7.95(18) . . . . ?
O1 Co1 O2 Co3 89.72(19) . . . . ?
O1 Co1 O2 C2 -135.8(5) . . . . ?
O1 Co1 O3 Co3 -91.0(2) . . . . ?
O1 Co1 O3 Co4 8.02(18) . . . . ?
O1 Co1 O3 C3 139.9(6) . . . . ?
O1 Co1 N3 N4 -155(2) . . . . ?
O1 Co1 N3 C11 7(3) . . . . ?
O1 Co1 N22 N23 149.2(4) . . . . ?
O1 Co1 N22 C40 -68.3(6) . . . . ?
O1 Co1 N27 N26 -128.4(4) . . . . ?
O1 Co1 N27 C53 44.0(6) . . . . ?
O1 Co2 O2 Co1 7.77(18) . . . . ?
O1 Co2 O2 Co3 -89.2(2) . . . . ?
O1 Co2 O2 C2 137.7(5) . . . . ?
O1 Co2 O4 Co3 90.21(19) . . . . ?
O1 Co2 O4 Co4 -8.53(17) . . . . ?
O1 Co2 O4 C4 -135.2(5) . . . . ?
O1 Co2 N30 N31 151.4(4) . . . . ?
O1 Co2 N30 C54 -36.5(6) . . . . ?
O1 Co2 N35 N34 -134.8(5) . . . . ?
O1 Co2 N35 C67 19.8(8) . . . . ?
O1 Co2 N43 N42 -157.0(13) . . . . ?
O1 Co2 N43 C81 5(2) . . . . ?
O1 Co4 O3 Co1 -7.98(18) . . . . ?
O1 Co4 O3 Co3 92.7(2) . . . . ?
O1 Co4 O3 C3 -140.1(6) . . . . ?
O1 Co4 O4 Co2 8.65(17) . . . . ?
O1 Co4 O4 Co3 -91.14(19) . . . . ?
O1 Co4 O4 C4 136.1(6) . . . . ?
O1 Co4 N13 N14 138.0(19) . . . . ?
O1 Co4 N13 C26 -23(3) . . . . ?
O1 Co4 N20 N19 -148.5(5) . . . . ?
O1 Co4 N20 C39 64.0(7) . . . . ?
O1 Co4 N38 N39 130.6(5) . . . . ?
O1 Co4 N38 C68 -23.6(8) . . . . ?
O2 Co1 O1 Co2 7.99(18) . . . . ?
O2 Co1 O1 Co4 -90.8(2) . . . . ?
O2 Co1 O1 C1 139.1(5) . . . . ?
O2 Co1 O3 Co3 -6.99(18) . . . . ?
O2 Co1 O3 Co4 91.99(19) . . . . ?
O2 Co1 O3 C3 -136.1(6) . . . . ?
O2 Co1 N3 N4 -130.8(4) . . . . ?
O2 Co1 N3 C11 31.3(6) . . . . ?
O2 Co1 N22 N23 -138.5(16) . . . . ?
O2 Co1 N22 C40 4(2) . . . . ?
O2 Co1 N27 N26 148.4(4) . . . . ?
O2 Co1 N27 C53 -39.2(6) . . . . ?
O2 Co2 O1 Co1 -8.10(19) . . . . ?
O2 Co2 O1 Co4 91.86(19) . . . . ?
O2 Co2 O1 C1 -136.0(5) . . . . ?
O2 Co2 O4 Co3 6.83(19) . . . . ?
O2 Co2 O4 Co4 -91.91(19) . . . . ?
O2 Co2 O4 C4 141.4(5) . . . . ?
O2 Co2 N30 N31 -126.0(4) . . . . ?
O2 Co2 N30 C54 46.1(6) . . . . ?
O2 Co2 N35 N34 -136(3) . . . . ?
O2 Co2 N35 C67 18(3) . . . . ?
O2 Co2 N43 N42 148.2(5) . . . . ?
O2 Co2 N43 C81 -50.2(7) . . . . ?
O2 Co3 O3 Co1 7.00(19) . . . . ?
O2 Co3 O3 Co4 -91.6(2) . . . . ?
O2 Co3 O3 C3 138.7(6) . . . . ?
O2 Co3 O4 Co2 -6.77(19) . . . . ?
O2 Co3 O4 Co4 92.1(2) . . . . ?
O2 Co3 O4 C4 -138.7(6) . . . . ?
O2 Co3 N7 N6 145.9(5) . . . . ?
O2 Co3 N7 C12 -40.0(6) . . . . ?
O2 Co3 N11 N10 177(2) . . . . ?
O2 Co3 N11 C25 -13(3) . . . . ?
O2 Co3 N47 N46 -130.1(5) . . . . ?
O2 Co3 N47 C82 43.1(7) . . . . ?
O3 Co1 O1 Co2 90.57(19) . . . . ?
O3 Co1 O1 Co4 -8.18(18) . . . . ?
O3 Co1 O1 C1 -138.3(5) . . . . ?
O3 Co1 O2 Co2 -90.9(2) . . . . ?
O3 Co1 O2 Co3 6.76(18) . . . . ?
O3 Co1 O2 C2 141.2(5) . . . . ?
O3 Co1 N3 N4 147.3(4) . . . . ?
O3 Co1 N3 C11 -50.7(6) . . . . ?
O3 Co1 N22 N23 -128.5(4) . . . . ?
O3 Co1 N22 C40 13.9(6) . . . . ?
O3 Co1 N27 N26 -148.1(16) . . . . ?
O3 Co1 N27 C53 24(2) . . . . ?
O3 Co3 O2 Co1 -6.75(18) . . . . ?
O3 Co3 O2 Co2 89.7(2) . . . . ?
O3 Co3 O2 C2 -140.2(6) . . . . ?
O3 Co3 O4 Co2 -89.6(2) . . . . ?
O3 Co3 O4 Co4 9.31(19) . . . . ?
O3 Co3 O4 C4 138.5(6) . . . . ?
O3 Co3 N7 N6 -132.2(5) . . . . ?
O3 Co3 N7 C12 41.9(6) . . . . ?
O3 Co3 N11 N10 138.7(5) . . . . ?
O3 Co3 N11 C25 -51.8(8) . . . . ?
O3 Co3 N47 N46 -166(2) . . . . ?
O3 Co3 N47 C82 7(3) . . . . ?
O3 Co4 O1 Co1 8.09(18) . . . . ?
O3 Co4 O1 Co2 -91.20(19) . . . . ?
O3 Co4 O1 C1 135.8(5) . . . . ?
O3 Co4 O4 Co2 90.60(19) . . . . ?
O3 Co4 O4 Co3 -9.19(18) . . . . ?
O3 Co4 O4 C4 -142.0(6) . . . . ?
O3 Co4 N13 N14 -152.7(5) . . . . ?
O3 Co4 N13 C26 46.7(8) . . . . ?
O3 Co4 N20 N19 130.3(5) . . . . ?
O3 Co4 N20 C39 -17.2(7) . . . . ?
O3 Co4 N38 N39 133.3(13) . . . . ?
O3 Co4 N38 C68 -21(2) . . . . ?
O4 Co2 O1 Co1 -91.37(19) . . . . ?
O4 Co2 O1 Co4 8.59(17) . . . . ?
O4 Co2 O1 C1 140.7(5) . . . . ?
O4 Co2 O2 Co1 90.2(2) . . . . ?
O4 Co2 O2 Co3 -6.71(19) . . . . ?
O4 Co2 O2 C2 -139.8(5) . . . . ?
O4 Co2 N30 N31 -142.6(19) . . . . ?
O4 Co2 N30 C54 30(2) . . . . ?
O4 Co2 N35 N34 143.3(5) . . . . ?
O4 Co2 N35 C67 -62.1(8) . . . . ?
O4 Co2 N43 N42 -129.4(5) . . . . ?
O4 Co2 N43 C81 32.2(7) . . . . ?
O4 Co3 O2 Co1 -89.8(2) . . . . ?
O4 Co3 O2 Co2 6.67(19) . . . . ?
O4 Co3 O2 C2 136.8(6) . . . . ?
O4 Co3 O3 Co1 89.3(2) . . . . ?
O4 Co3 O3 Co4 -9.24(18) . . . . ?
O4 Co3 O3 C3 -139.0(6) . . . . ?
O4 Co3 N7 N6 170.4(14) . . . . ?
O4 Co3 N7 C12 -15(2) . . . . ?
O4 Co3 N11 N10 -139.0(5) . . . . ?
O4 Co3 N11 C25 30.5(8) . . . . ?
O4 Co3 N47 N46 148.3(5) . . . . ?
O4 Co3 N47 C82 -38.6(7) . . . . ?
O4 Co4 O1 Co1 90.73(19) . . . . ?
O4 Co4 O1 Co2 -8.55(17) . . . . ?
O4 Co4 O1 C1 -141.5(5) . . . . ?
O4 Co4 O3 Co1 -91.4(2) . . . . ?
O4 Co4 O3 Co3 9.30(19) . . . . ?
O4 Co4 O3 C3 136.5(6) . . . . ?
O4 Co4 N13 N14 125.5(5) . . . . ?
O4 Co4 N13 C26 -35.1(8) . . . . ?
O4 Co4 N20 N19 126.8(19) . . . . ?
O4 Co4 N20 C39 -21(2) . . . . ?
O4 Co4 N38 N39 -147.1(5) . . . . ?
O4 Co4 N38 C68 58.6(8) . . . . ?
N1 Co10 N4 N3 175.1(6) . . . . ?
N1 Co10 N4 C10 -14.3(5) . . . . ?
N1 Co10 N23 N22 112.9(6) . . . . ?
N1 Co10 N23 C41 -65.0(7) . . . . ?
N1 Co10 N24 C42 156.4(5) . . . . ?
N1 Co10 N24 C46 -22.0(7) . . . . ?
N1 Co10 N25 C47 71.4(6) . . . . ?
N1 Co10 N25 C51 -100.4(5) . . . . ?
N1 Co10 N26 N27 -98.3(6) . . . . ?
N1 Co10 N26 C52 63.4(5) . . . . ?
N1 C5 C6 C7 -0.5(12) . . . . ?
N1 C9 C10 N2 -174.8(6) . . . . ?
N1 C9 C10 N4 -1.5(8) . . . . ?
N2 Co5 N5 C12 7.7(4) . . . . ?
N2 Co5 N5 C13 -171.0(8) . . . . ?
N2 C11 C12 N5 -13.2(8) . . . . ?
N2 C11 C12 N7 165.8(7) . . . . ?
N3 Co1 O1 Co2 32(2) . . . . ?
N3 Co1 O1 Co4 -67(2) . . . . ?
N3 Co1 O1 C1 163(2) . . . . ?
N3 Co1 O2 Co2 174.0(2) . . . . ?
N3 Co1 O2 Co3 -88.4(2) . . . . ?
N3 Co1 O2 C2 46.1(5) . . . . ?
N3 Co1 O3 Co3 85.0(2) . . . . ?
N3 Co1 O3 Co4 -176.02(19) . . . . ?
N3 Co1 O3 C3 -44.1(6) . . . . ?
N3 Co1 N22 N23 -33.1(4) . . . . ?
N3 Co1 N22 C40 109.3(6) . . . . ?
N3 Co1 N27 N26 55.7(4) . . . . ?
N3 Co1 N27 C53 -131.9(6) . . . . ?
N3 N4 C10 N2 1.4(7) . . . . ?
N3 N4 C10 C9 -173.1(5) . . . . ?
N3 C11 C12 N5 160.9(6) . . . . ?
N3 C11 C12 N7 -20.2(12) . . . . ?
N4 Co10 N1 C5 -172.9(6) . . . . ?
N4 Co10 N1 C9 13.3(4) . . . . ?
N4 Co10 N23 N22 61.5(6) . . . . ?
N4 Co10 N23 C41 -116.5(5) . . . . ?
N4 Co10 N24 C42 83.7(5) . . . . ?
N4 Co10 N24 C46 -94.7(7) . . . . ?
N4 Co10 N25 C47 131.2(6) . . . . ?
N4 Co10 N25 C51 -40.6(7) . . . . ?
N4 Co10 N26 N27 -27.8(6) . . . . ?
N4 Co10 N26 C52 133.8(5) . . . . ?
N4 N3 C11 N2 0.6(7) . . . . ?
N4 N3 C11 C12 -173.5(6) . . . . ?
N5 Co5 N2 C10 -158.8(7) . . . . ?
N5 Co5 N2 C11 -15.0(4) . . . . ?
N5 C13 C14 N8 -173.0(7) . . . . ?
N5 C13 C14 C15 2.9(12) . . . . ?
N6 Co6 N8 C14 14.4(5) . . . . ?
N6 Co6 N8 C18 -174.0(8) . . . . ?
N6 Co6 N9 C19 122.5(9) . . . . ?
N6 Co6 N9 C23 -50.1(9) . . . . ?
N6 Co6 N10 N11 -41.7(7) . . . . ?
N6 Co6 N10 C24 142.8(6) . . . . ?
N6 Co6 N46 N47 55.0(6) . . . . ?
N6 Co6 N46 C83 -136.2(6) . . . . ?
N6 Co6 N48 C84 85.6(6) . . . . ?
N6 Co6 N48 C88 -94.7(7) . . . . ?
N6 N7 C12 N5 0.0(7) . . . . ?
N6 N7 C12 C11 -179.0(7) . . . . ?
N6 C13 C14 N8 3.4(10) . . . . ?
N6 C13 C14 C15 179.4(7) . . . . ?
N7 Co3 O2 Co1 87.4(2) . . . . ?
N7 Co3 O2 Co2 -176.2(2) . . . . ?
N7 Co3 O2 C2 -46.1(5) . . . . ?
N7 Co3 O3 Co1 -84.9(2) . . . . ?
N7 Co3 O3 Co4 176.53(19) . . . . ?
N7 Co3 O3 C3 46.8(6) . . . . ?
N7 Co3 O4 Co2 -31.6(17) . . . . ?
N7 Co3 O4 Co4 67.3(16) . . . . ?
N7 Co3 O4 C4 -163.5(15) . . . . ?
N7 Co3 N11 N10 44.2(5) . . . . ?
N7 Co3 N11 C25 -146.3(8) . . . . ?
N7 Co3 N47 N46 -37.7(5) . . . . ?
N7 Co3 N47 C82 135.5(7) . . . . ?
N7 N6 C13 N5 0.5(8) . . . . ?
N7 N6 C13 C14 -176.5(6) . . . . ?
N8 Co6 N6 N7 175.8(6) . . . . ?
N8 Co6 N6 C13 -12.8(5) . . . . ?
N8 Co6 N9 C19 59.9(9) . . . . ?
N8 Co6 N9 C23 -112.8(7) . . . . ?
N8 Co6 N10 N11 -110.0(7) . . . . ?
N8 Co6 N10 C24 74.5(7) . . . . ?
N8 Co6 N46 N47 110.8(7) . . . . ?
N8 Co6 N46 C83 -80.4(6) . . . . ?
N8 Co6 N48 C84 156.9(5) . . . . ?
N8 Co6 N48 C88 -23.4(7) . . . . ?
N8 C14 C15 C16 0.7(12) . . . . ?
N9 Co6 N6 N7 108.7(7) . . . . ?
N9 Co6 N6 C13 -79.9(7) . . . . ?
N9 Co6 N8 C14 163.2(5) . . . . ?
N9 Co6 N8 C18 -25.2(8) . . . . ?
N9 Co6 N10 N11 167.8(8) . . . . ?
N9 Co6 N10 C24 -7.7(6) . . . . ?
N9 Co6 N46 N47 -102.3(7) . . . . ?
N9 Co6 N46 C83 66.5(6) . . . . ?
N9 Co6 N48 C84 -112.6(6) . . . . ?
N9 Co6 N48 C88 67.1(7) . . . . ?
N9 C19 C20 C21 -3(2) . . . . ?
N9 C23 C24 N10 5.2(14) . . . . ?
N9 C23 C24 N12 -166.7(9) . . . . ?
N10 Co6 N6 N7 50.2(6) . . . . ?
N10 Co6 N6 C13 -138.4(5) . . . . ?
N10 Co6 N8 C14 88.3(6) . . . . ?
N10 Co6 N8 C18 -100.2(8) . . . . ?
N10 Co6 N9 C19 -176.8(9) . . . . ?
N10 Co6 N9 C23 10.5(7) . . . . ?
N10 Co6 N46 N47 -30.6(6) . . . . ?
N10 Co6 N46 C83 138.2(6) . . . . ?
N10 Co6 N48 C84 -45.4(7) . . . . ?
N10 Co6 N48 C88 134.3(7) . . . . ?
N10 N11 C25 N12 -0.2(9) . . . . ?
N10 N11 C25 C26 175.1(9) . . . . ?
N11 Co3 O2 Co1 -46(3) . . . . ?
N11 Co3 O2 Co2 51(3) . . . . ?
N11 Co3 O2 C2 -179(100) . . . . ?
N11 Co3 O3 Co1 -175.9(2) . . . . ?
N11 Co3 O3 Co4 85.6(2) . . . . ?
N11 Co3 O3 C3 -44.2(6) . . . . ?
N11 Co3 O4 Co2 176.4(2) . . . . ?
N11 Co3 O4 Co4 -84.7(2) . . . . ?
N11 Co3 O4 C4 44.5(6) . . . . ?
N11 Co3 N7 N6 -37.5(5) . . . . ?
N11 Co3 N7 C12 136.7(6) . . . . ?
N11 Co3 N47 N46 53.0(5) . . . . ?
N11 Co3 N47 C82 -133.9(7) . . . . ?
N11 N10 C24 N12 0.6(10) . . . . ?
N11 N10 C24 C23 -172.6(8) . . . . ?
N11 C25 C26 N13 13.0(17) . . . . ?
N11 C25 C26 N15 -166.5(9) . . . . ?
N12 Co7 N15 C26 16.6(7) . . . . ?
N12 Co7 N15 C27 169.6(12) . . . . ?
N12 C25 C26 N13 -171.8(9) . . . . ?
N12 C25 C26 N15 8.7(12) . . . . ?
N13 Co4 O1 Co1 78(2) . . . . ?
N13 Co4 O1 Co2 -21(2) . . . . ?
N13 Co4 O1 C1 -154(2) . . . . ?
N13 Co4 O3 Co1 177.4(2) . . . . ?
N13 Co4 O3 Co3 -81.9(2) . . . . ?
N13 Co4 O3 C3 45.3(6) . . . . ?
N13 Co4 O4 Co2 -172.6(2) . . . . ?
N13 Co4 O4 Co3 87.6(2) . . . . ?
N13 Co4 O4 C4 -45.2(6) . . . . ?
N13 Co4 N20 N19 33.3(5) . . . . ?
N13 Co4 N20 C39 -114.2(7) . . . . ?
N13 Co4 N38 N39 -54.7(6) . . . . ?
N13 Co4 N38 C68 151.0(8) . . . . ?
N13 N14 C27 N15 -3.0(11) . . . . ?
N13 N14 C27 C28 173.6(9) . . . . ?
N14 Co8 N16 C28 -8.7(8) . . . . ?
N14 Co8 N16 C32 167.8(10) . . . . ?
N14 Co8 N17 C33 97.3(8) . . . . ?
N14 Co8 N17 C37 -81.3(6) . . . . ?
N14 Co8 N19 N20 -59.7(7) . . . . ?
N14 Co8 N19 C38 123.7(6) . . . . ?
N14 Co8 N39 N38 25.3(7) . . . . ?
N14 Co8 N39 C69 -148.9(7) . . . . ?
N14 Co8 N40 C70 44.0(9) . . . . ?
N14 Co8 N40 C74 -131.8(8) . . . . ?
N14 N13 C26 N15 -0.2(9) . . . . ?
N14 N13 C26 C25 -179.7(9) . . . . ?
N14 C27 C28 N16 12.0(15) . . . . ?
N14 C27 C28 C29 -161.0(12) . . . . ?
N15 Co7 N12 C24 170.4(12) . . . . ?
N15 Co7 N12 C25 -12.2(6) . . . . ?
N15 C27 C28 N16 -172.1(11) . . . . ?
N15 C27 C28 C29 15(2) . . . . ?
N16 Co8 N14 N13 177.1(8) . . . . ?
N16 Co8 N14 C27 15.6(7) . . . . ?
N16 Co8 N17 C33 22.6(8) . . . . ?
N16 Co8 N17 C37 -156.0(6) . . . . ?
N16 Co8 N19 N20 -111.9(7) . . . . ?
N16 Co8 N19 C38 71.6(8) . . . . ?
N16 Co8 N39 N38 97.0(7) . . . . ?
N16 Co8 N39 C69 -77.3(7) . . . . ?
N16 Co8 N40 C70 109.5(7) . . . . ?
N16 Co8 N40 C74 -66.3(8) . . . . ?
N16 C28 C29 C30 4(2) . . . . ?
N17 Co8 N14 N13 93.9(7) . . . . ?
N17 Co8 N14 C27 -67.6(7) . . . . ?
N17 Co8 N16 C28 105.9(8) . . . . ?
N17 Co8 N16 C32 -77.6(9) . . . . ?
N17 Co8 N19 N20 -176.1(7) . . . . ?
N17 Co8 N19 C38 7.4(6) . . . . ?
N17 Co8 N39 N38 -107.1(8) . . . . ?
N17 Co8 N39 C69 78.6(8) . . . . ?
N17 Co8 N40 C70 -160.9(7) . . . . ?
N17 Co8 N40 C74 23.3(8) . . . . ?
N17 C33 C34 C35 0.2(15) . . . . ?
N17 C37 C38 N18 178.1(8) . . . . ?
N17 C37 C38 N19 5.1(11) . . . . ?
N18 Co9 N21 C40 5.3(5) . . . . ?
N18 Co9 N21 C41 -173.4(9) . . . . ?
N18 C39 C40 N21 -4.0(10) . . . . ?
N18 C39 C40 N22 174.1(7) . . . . ?
N19 Co8 N14 N13 22.5(7) . . . . ?
N19 Co8 N14 C27 -139.0(7) . . . . ?
N19 Co8 N16 C28 45.3(10) . . . . ?
N19 Co8 N16 C32 -138.2(9) . . . . ?
N19 Co8 N17 C33 174.2(8) . . . . ?
N19 Co8 N17 C37 -4.4(6) . . . . ?
N19 Co8 N39 N38 -59.3(7) . . . . ?
N19 Co8 N39 C69 126.4(7) . . . . ?
N19 Co8 N40 C70 -85.6(7) . . . . ?
N19 Co8 N40 C74 98.6(8) . . . . ?
N19 N20 C39 N18 0.2(8) . . . . ?
N19 N20 C39 C40 176.7(8) . . . . ?
N20 Co4 O1 Co1 -83.2(2) . . . . ?
N20 Co4 O1 Co2 177.48(19) . . . . ?
N20 Co4 O1 C1 44.5(5) . . . . ?
N20 Co4 O3 Co1 89.0(2) . . . . ?
N20 Co4 O3 Co3 -170.3(2) . . . . ?
N20 Co4 O3 C3 -43.1(6) . . . . ?
N20 Co4 O4 Co2 94(2) . . . . ?
N20 Co4 O4 Co3 -6(2) . . . . ?
N20 Co4 O4 C4 -138.5(19) . . . . ?
N20 Co4 N13 N14 -60.5(5) . . . . ?
N20 Co4 N13 C26 138.9(8) . . . . ?
N20 Co4 N38 N39 33.4(5) . . . . ?
N20 Co4 N38 C68 -120.9(8) . . . . ?
N20 N19 C38 N18 -1.0(9) . . . . ?
N20 N19 C38 C37 173.2(7) . . . . ?
N20 C39 C40 N21 179.5(7) . . . . ?
N20 C39 C40 N22 -2.4(14) . . . . ?
N21 Co9 N18 C38 -177.2(10) . . . . ?
N21 Co9 N18 C39 -7.5(6) . . . . ?
N21 C41 C42 N24 -173.3(7) . . . . ?
N21 C41 C42 C43 -0.1(13) . . . . ?
N22 Co1 O1 Co2 -178.04(19) . . . . ?
N22 Co1 O1 Co4 83.2(2) . . . . ?
N22 Co1 O1 C1 -46.9(5) . . . . ?
N22 Co1 O2 Co2 -80.9(17) . . . . ?
N22 Co1 O2 Co3 16.8(18) . . . . ?
N22 Co1 O2 C2 151.3(16) . . . . ?
N22 Co1 O3 Co3 174.1(2) . . . . ?
N22 Co1 O3 Co4 -86.9(2) . . . . ?
N22 Co1 O3 C3 45.0(6) . . . . ?
N22 Co1 N3 N4 55.3(4) . . . . ?
N22 Co1 N3 C11 -142.7(6) . . . . ?
N22 Co1 N27 N26 -33.2(4) . . . . ?
N22 Co1 N27 C53 139.2(6) . . . . ?
N22 N23 C41 N21 0.3(8) . . . . ?
N22 N23 C41 C42 -174.0(6) . . . . ?
N23 Co10 N1 C5 133.3(6) . . . . ?
N23 Co10 N1 C9 -40.5(7) . . . . ?
N23 Co10 N4 N3 -31.1(6) . . . . ?
N23 Co10 N4 C10 139.5(5) . . . . ?
N23 Co10 N24 C42 4.6(5) . . . . ?
N23 Co10 N24 C46 -173.7(7) . . . . ?
N23 Co10 N25 C47 -93.7(6) . . . . ?
N23 Co10 N25 C51 94.5(5) . . . . ?
N23 Co10 N26 N27 57.1(6) . . . . ?
N23 Co10 N26 C52 -141.3(5) . . . . ?
N23 N22 C40 N21 1.8(8) . . . . ?
N23 N22 C40 C39 -176.3(7) . . . . ?
N23 C41 C42 N24 0.0(10) . . . . ?
N23 C41 C42 C43 173.2(8) . . . . ?
N24 Co10 N1 C5 75.7(6) . . . . ?
N24 Co10 N1 C9 -98.1(5) . . . . ?
N24 Co10 N4 N3 -104.3(6) . . . . ?
N24 Co10 N4 C10 66.3(5) . . . . ?
N24 Co10 N23 N22 173.2(6) . . . . ?
N24 Co10 N23 C41 -4.8(5) . . . . ?
N24 Co10 N25 C47 -14.9(7) . . . . ?
N24 Co10 N25 C51 173.3(5) . . . . ?
N24 Co10 N26 N27 101.2(7) . . . . ?
N24 Co10 N26 C52 -97.1(7) . . . . ?
N24 C42 C43 C44 -0.5(14) . . . . ?
N25 Co10 N1 C5 -22.8(6) . . . . ?
N25 Co10 N1 C9 163.4(5) . . . . ?
N25 Co10 N4 N3 111.6(6) . . . . ?
N25 Co10 N4 C10 -77.8(6) . . . . ?
N25 Co10 N23 N22 -95.3(6) . . . . ?
N25 Co10 N23 C41 86.7(5) . . . . ?
N25 Co10 N24 C42 -115.6(5) . . . . ?
N25 Co10 N24 C46 66.1(7) . . . . ?
N25 Co10 N26 N27 -179.8(6) . . . . ?
N25 Co10 N26 C52 -18.1(5) . . . . ?
N25 C47 C48 C49 -0.3(12) . . . . ?
N25 C51 C52 N26 -2.9(9) . . . . ?
N25 C51 C52 N28 -179.9(7) . . . . ?
N26 Co10 N1 C5 -96.6(6) . . . . ?
N26 Co10 N1 C9 89.6(5) . . . . ?
N26 Co10 N4 N3 56.5(6) . . . . ?
N26 Co10 N4 C10 -132.9(5) . . . . ?
N26 Co10 N23 N22 -23.5(6) . . . . ?
N26 Co10 N23 C41 158.6(5) . . . . ?
N26 Co10 N24 C42 -41.1(8) . . . . ?
N26 Co10 N24 C46 140.5(7) . . . . ?
N26 Co10 N25 C47 -171.5(7) . . . . ?
N26 Co10 N25 C51 16.7(5) . . . . ?
N26 N27 C53 N28 -0.5(7) . . . . ?
N26 N27 C53 C54 -179.0(6) . . . . ?
N27 Co1 O1 Co2 -87.4(2) . . . . ?
N27 Co1 O1 Co4 173.9(2) . . . . ?
N27 Co1 O1 C1 43.8(5) . . . . ?
N27 Co1 O2 Co2 83.7(2) . . . . ?
N27 Co1 O2 Co3 -178.67(18) . . . . ?
N27 Co1 O2 C2 -44.2(5) . . . . ?
N27 Co1 O3 Co3 -71.1(18) . . . . ?
N27 Co1 O3 Co4 27.8(18) . . . . ?
N27 Co1 O3 C3 159.7(17) . . . . ?
N27 Co1 N3 N4 -35.2(4) . . . . ?
N27 Co1 N3 C11 126.9(6) . . . . ?
N27 Co1 N22 N23 56.9(4) . . . . ?
N27 Co1 N22 C40 -160.6(6) . . . . ?
N27 N26 C52 N28 1.7(7) . . . . ?
N27 N26 C52 C51 -175.9(6) . . . . ?
N27 C53 C54 N29 165.4(6) . . . . ?
N27 C53 C54 N30 -14.7(12) . . . . ?
N28 Co11 N29 C54 -8.0(4) . . . . ?
N28 Co11 N29 C55 -168.8(8) . . . . ?
N28 C53 C54 N29 -13.1(9) . . . . ?
N28 C53 C54 N30 166.9(6) . . . . ?
N29 Co11 N28 C52 -170.2(8) . . . . ?
N29 Co11 N28 C53 1.3(5) . . . . ?
N29 C55 C56 N32 178.3(6) . . . . ?
N29 C55 C56 C57 -7.3(11) . . . . ?
N30 Co2 O1 Co1 83.6(2) . . . . ?
N30 Co2 O1 Co4 -176.49(18) . . . . ?
N30 Co2 O1 C1 -44.3(5) . . . . ?
N30 Co2 O2 Co1 -88.2(2) . . . . ?
N30 Co2 O2 Co3 174.9(2) . . . . ?
N30 Co2 O2 C2 41.7(5) . . . . ?
N30 Co2 O4 Co3 24(2) . . . . ?
N30 Co2 O4 Co4 -75(2) . . . . ?
N30 Co2 O4 C4 158.2(19) . . . . ?
N30 Co2 N35 N34 -38.7(5) . . . . ?
N30 Co2 N35 C67 115.9(8) . . . . ?
N30 Co2 N43 N42 55.7(5) . . . . ?
N30 Co2 N43 C81 -142.7(7) . . . . ?
N30 N31 C55 N29 1.4(7) . . . . ?
N30 N31 C55 C56 -173.0(5) . . . . ?
N31 Co12 N32 C56 15.9(5) . . . . ?
N31 Co12 N32 C60 -167.4(6) . . . . ?
N31 Co12 N33 C61 -99.2(8) . . . . ?
N31 Co12 N33 C65 86.2(7) . . . . ?
N31 Co12 N34 N35 53.5(7) . . . . ?
N31 Co12 N34 C66 -124.5(7) . . . . ?
N31 Co12 N41 C75 134.0(7) . . . . ?
N31 Co12 N41 C79 -45.9(8) . . . . ?
N31 Co12 N42 N43 -27.6(6) . . . . ?
N31 Co12 N42 C80 142.6(6) . . . . ?
N31 N30 C54 N29 -1.2(7) . . . . ?
N31 N30 C54 C53 178.8(6) . . . . ?
N31 C55 C56 N32 -8.5(8) . . . . ?
N31 C55 C56 C57 165.9(7) . . . . ?
N32 Co12 N31 N30 -179.2(6) . . . . ?
N32 Co12 N31 C55 -20.8(5) . . . . ?
N32 Co12 N33 C61 -26.8(8) . . . . ?
N32 Co12 N33 C65 158.6(6) . . . . ?
N32 Co12 N34 N35 106.9(7) . . . . ?
N32 Co12 N34 C66 -71.1(8) . . . . ?
N32 Co12 N41 C75 69.0(7) . . . . ?
N32 Co12 N41 C79 -110.9(6) . . . . ?
N32 Co12 N42 N43 -97.4(6) . . . . ?
N32 Co12 N42 C80 72.8(6) . . . . ?
N32 C56 C57 C58 0.3(11) . . . . ?
N33 Co12 N31 N30 -98.4(6) . . . . ?
N33 Co12 N31 C55 60.1(5) . . . . ?
N33 Co12 N32 C56 -101.6(5) . . . . ?
N33 Co12 N32 C60 75.1(6) . . . . ?
N33 Co12 N34 N35 171.9(7) . . . . ?
N33 Co12 N34 C66 -6.1(6) . . . . ?
N33 Co12 N41 C75 -19.7(7) . . . . ?
N33 Co12 N41 C79 160.4(6) . . . . ?
N33 Co12 N42 N43 109.6(7) . . . . ?
N33 Co12 N42 C80 -80.2(7) . . . . ?
N33 C61 C62 C63 0.5(16) . . . . ?
N33 C65 C66 N34 4.9(13) . . . . ?
N33 C65 C66 N36 -170.4(9) . . . . ?
N34 Co12 N31 N30 -26.6(6) . . . . ?
N34 Co12 N31 C55 131.8(5) . . . . ?
N34 Co12 N32 C56 -40.0(7) . . . . ?
N34 Co12 N32 C60 136.7(6) . . . . ?
N34 Co12 N33 C61 -176.7(8) . . . . ?
N34 Co12 N33 C65 8.8(6) . . . . ?
N34 Co12 N41 C75 -94.9(7) . . . . ?
N34 Co12 N41 C79 85.2(6) . . . . ?
N34 Co12 N42 N43 58.1(6) . . . . ?
N34 Co12 N42 C80 -131.8(6) . . . . ?
N34 N35 C67 N36 1.2(10) . . . . ?
N34 N35 C67 C68 -177.0(9) . . . . ?
N35 Co2 O1 Co1 172.0(2) . . . . ?
N35 Co2 O1 Co4 -88.0(2) . . . . ?
N35 Co2 O1 C1 44.1(5) . . . . ?
N35 Co2 O2 Co1 9(3) . . . . ?
N35 Co2 O2 Co3 -88(3) . . . . ?
N35 Co2 O2 C2 139(3) . . . . ?
N35 Co2 O4 Co3 -177.5(2) . . . . ?
N35 Co2 O4 Co4 83.8(2) . . . . ?
N35 Co2 O4 C4 -42.9(6) . . . . ?
N35 Co2 N30 N31 58.4(4) . . . . ?
N35 Co2 N30 C54 -129.5(6) . . . . ?
N35 Co2 N43 N42 -32.4(5) . . . . ?
N35 Co2 N43 C81 129.2(7) . . . . ?
N35 N34 C66 N36 0.5(10) . . . . ?
N35 N34 C66 C65 -175.5(8) . . . . ?
N35 C67 C68 N37 -179.8(9) . . . . ?
N35 C67 C68 N38 2.1(18) . . . . ?
N36 Co13 N37 C68 -9.9(7) . . . . ?
N36 Co13 N37 C69 179.4(13) . . . . ?
N36 C67 C68 N37 2.1(13) . . . . ?
N36 C67 C68 N38 -176.0(9) . . . . ?
N37 Co13 N36 C66 178.0(12) . . . . ?
N37 Co13 N36 C67 11.1(7) . . . . ?
N37 C69 C70 N40 179.4(10) . . . . ?
N37 C69 C70 C71 0.5(18) . . . . ?
N38 Co4 O1 Co1 -172.3(2) . . . . ?
N38 Co4 O1 Co2 88.4(2) . . . . ?
N38 Co4 O1 C1 -44.6(5) . . . . ?
N38 Co4 O3 Co1 -10.7(16) . . . . ?
N38 Co4 O3 Co3 90.0(15) . . . . ?
N38 Co4 O3 C3 -142.8(14) . . . . ?
N38 Co4 O4 Co2 -81.4(2) . . . . ?
N38 Co4 O4 Co3 178.8(2) . . . . ?
N38 Co4 O4 C4 46.1(6) . . . . ?
N38 Co4 N13 N14 28.4(5) . . . . ?
N38 Co4 N13 C26 -132.2(8) . . . . ?
N38 Co4 N20 N19 -57.7(5) . . . . ?
N38 Co4 N20 C39 154.9(7) . . . . ?
N38 N39 C69 N37 -2.3(11) . . . . ?
N38 N39 C69 C70 176.9(8) . . . . ?
N39 Co8 N14 N13 -63.5(7) . . . . ?
N39 Co8 N14 C27 135.1(7) . . . . ?
N39 Co8 N16 C28 -85.3(8) . . . . ?
N39 Co8 N16 C32 91.2(9) . . . . ?
N39 Co8 N17 C33 -136.1(7) . . . . ?
N39 Co8 N17 C37 45.3(8) . . . . ?
N39 Co8 N19 N20 25.4(7) . . . . ?
N39 Co8 N19 C38 -151.2(6) . . . . ?
N39 Co8 N40 C70 -7.8(7) . . . . ?
N39 Co8 N40 C74 176.4(9) . . . . ?
N39 N38 C68 N37 -1.4(10) . . . . ?
N39 N38 C68 C67 176.7(10) . . . . ?
N39 C69 C70 N40 0.2(14) . . . . ?
N39 C69 C70 C71 -178.7(10) . . . . ?
N40 Co8 N14 N13 -113.5(8) . . . . ?
N40 Co8 N14 C27 85.0(8) . . . . ?
N40 Co8 N16 C28 -160.9(8) . . . . ?
N40 Co8 N16 C32 15.5(9) . . . . ?
N40 Co8 N17 C33 -69.5(8) . . . . ?
N40 Co8 N17 C37 111.9(6) . . . . ?
N40 Co8 N19 N20 97.7(7) . . . . ?
N40 Co8 N19 C38 -78.9(6) . . . . ?
N40 Co8 N39 N38 -177.7(8) . . . . ?
N40 Co8 N39 C69 8.0(7) . . . . ?
N40 C70 C71 C72 -0.5(17) . . . . ?
N41 Co12 N31 N30 111.1(6) . . . . ?
N41 Co12 N31 C55 -90.4(6) . . . . ?
N41 Co12 N32 C56 166.3(5) . . . . ?
N41 Co12 N32 C60 -16.9(6) . . . . ?
N41 Co12 N33 C61 65.7(8) . . . . ?
N41 Co12 N33 C65 -108.8(6) . . . . ?
N41 Co12 N34 N35 -103.1(7) . . . . ?
N41 Co12 N34 C66 78.9(7) . . . . ?
N41 Co12 N42 N43 177.7(7) . . . . ?
N41 Co12 N42 C80 -12.1(6) . . . . ?
N41 C75 C76 C77 4.0(15) . . . . ?
N41 C79 C80 N42 -7.0(11) . . . . ?
N41 C79 C80 N44 178.9(8) . . . . ?
N42 Co12 N31 N30 59.3(6) . . . . ?
N42 Co12 N31 C55 -142.3(5) . . . . ?
N42 Co12 N32 C56 91.6(5) . . . . ?
N42 Co12 N32 C60 -91.7(6) . . . . ?
N42 Co12 N33 C61 129.7(7) . . . . ?
N42 Co12 N33 C65 -44.9(8) . . . . ?
N42 Co12 N34 N35 -32.1(7) . . . . ?
N42 Co12 N34 C66 149.9(7) . . . . ?
N42 Co12 N41 C75 -171.9(8) . . . . ?
N42 Co12 N41 C79 8.2(6) . . . . ?
N42 N43 C81 N44 1.2(8) . . . . ?
N42 N43 C81 C82 -175.8(8) . . . . ?
N43 Co2 O1 Co1 -63.5(15) . . . . ?
N43 Co2 O1 Co4 36.5(16) . . . . ?
N43 Co2 O1 C1 168.6(14) . . . . ?
N43 Co2 O2 Co1 -178.3(2) . . . . ?
N43 Co2 O2 Co3 84.8(2) . . . . ?
N43 Co2 O2 C2 -48.3(5) . . . . ?
N43 Co2 O4 Co3 -86.4(2) . . . . ?
N43 Co2 O4 Co4 174.89(19) . . . . ?
N43 Co2 O4 C4 48.2(5) . . . . ?
N43 Co2 N30 N31 -32.5(4) . . . . ?
N43 Co2 N30 C54 139.6(6) . . . . ?
N43 Co2 N35 N34 51.2(5) . . . . ?
N43 Co2 N35 C67 -154.2(8) . . . . ?
N43 N42 C80 N44 2.5(9) . . . . ?
N43 N42 C80 C79 -172.5(7) . . . . ?
N43 C81 C82 N45 160.9(8) . . . . ?
N43 C81 C82 N47 -20.3(14) . . . . ?
N44 Co14 N45 C82 -3.3(5) . . . . ?
N44 Co14 N45 C83 -165.8(10) . . . . ?
N44 C81 C82 N45 -16.1(10) . . . . ?
N44 C81 C82 N47 162.7(8) . . . . ?
N45 Co14 N44 C80 -161.7(10) . . . . ?
N45 Co14 N44 C81 -5.5(6) . . . . ?
N45 C83 C84 N48 -178.3(8) . . . . ?
N45 C83 C84 C85 -6.8(13) . . . . ?
N46 Co6 N6 N7 -36.1(6) . . . . ?
N46 Co6 N6 C13 135.3(5) . . . . ?
N46 Co6 N8 C14 -44.2(7) . . . . ?
N46 Co6 N8 C18 127.3(7) . . . . ?
N46 Co6 N9 C19 -100.4(9) . . . . ?
N46 Co6 N9 C23 86.9(7) . . . . ?
N46 Co6 N10 N11 42.9(7) . . . . ?
N46 Co6 N10 C24 -132.6(6) . . . . ?
N46 Co6 N48 C84 11.1(5) . . . . ?
N46 Co6 N48 C88 -169.2(7) . . . . ?
N46 N47 C82 N45 -0.3(8) . . . . ?
N46 N47 C82 C81 -179.1(8) . . . . ?
N46 C83 C84 N48 -5.0(10) . . . . ?
N46 C83 C84 C85 166.5(7) . . . . ?
N47 Co3 O2 Co1 176.1(2) . . . . ?
N47 Co3 O2 Co2 -87.4(2) . . . . ?
N47 Co3 O2 C2 42.7(6) . . . . ?
N47 Co3 O3 Co1 43(2) . . . . ?
N47 Co3 O3 Co4 -55(2) . . . . ?
N47 Co3 O3 C3 175(2) . . . . ?
N47 Co3 O4 Co2 86.9(2) . . . . ?
N47 Co3 O4 Co4 -174.2(2) . . . . ?
N47 Co3 O4 C4 -45.0(6) . . . . ?
N47 Co3 N7 N6 51.6(5) . . . . ?
N47 Co3 N7 C12 -134.2(6) . . . . ?
N47 Co3 N11 N10 -44.4(5) . . . . ?
N47 Co3 N11 C25 125.2(8) . . . . ?
N47 N46 C83 N45 1.9(9) . . . . ?
N47 N46 C83 C84 -172.5(6) . . . . ?
N48 Co6 N6 N7 -105.2(6) . . . . ?
N48 Co6 N6 C13 66.2(6) . . . . ?
N48 Co6 N8 C14 -106.1(5) . . . . ?
N48 Co6 N8 C18 65.5(8) . . . . ?
N48 Co6 N9 C19 -28.2(9) . . . . ?
N48 Co6 N9 C23 159.1(7) . . . . ?
N48 Co6 N10 N11 96.8(8) . . . . ?
N48 Co6 N10 C24 -78.7(8) . . . . ?
N48 Co6 N46 N47 176.8(7) . . . . ?
N48 Co6 N46 C83 -14.3(5) . . . . ?
N48 C84 C85 C86 -0.8(13) . . . . ?
C5 N1 C9 C8 -1.9(10) . . . . ?
C5 N1 C9 C10 175.0(6) . . . . ?
C5 C6 C7 C8 -2.2(12) . . . . ?
C6 C7 C8 C9 2.8(11) . . . . ?
C7 C8 C9 N1 -0.7(11) . . . . ?
C7 C8 C9 C10 -177.3(7) . . . . ?
C8 C9 C10 N2 2.1(11) . . . . ?
C8 C9 C10 N4 175.4(6) . . . . ?
C9 N1 C5 C6 2.5(11) . . . . ?
C10 N2 C11 N3 0.1(7) . . . . ?
C10 N2 C11 C12 175.3(5) . . . . ?
C11 N2 C10 N4 -0.9(7) . . . . ?
C11 N2 C10 C9 172.7(6) . . . . ?
C11 N3 N4 Co10 170.1(5) . . . . ?
C11 N3 N4 C10 -1.2(6) . . . . ?
C12 N5 C13 N6 -0.5(8) . . . . ?
C12 N5 C13 C14 176.1(7) . . . . ?
C13 N5 C12 N7 0.3(7) . . . . ?
C13 N5 C12 C11 179.5(6) . . . . ?
C13 N6 N7 Co3 175.6(4) . . . . ?
C13 N6 N7 C12 -0.3(7) . . . . ?
C13 C14 C15 C16 -174.9(8) . . . . ?
C14 N8 C18 C17 2.3(13) . . . . ?
C14 C15 C16 C17 1.2(13) . . . . ?
C15 C16 C17 C18 -1.2(14) . . . . ?
C16 C17 C18 N8 -0.6(14) . . . . ?
C18 N8 C14 C13 173.6(7) . . . . ?
C18 N8 C14 C15 -2.4(12) . . . . ?
C19 N9 C23 C22 -3.0(16) . . . . ?
C19 N9 C23 C24 175.0(9) . . . . ?
C19 C20 C21 C22 2(2) . . . . ?
C20 C21 C22 C23 -2(2) . . . . ?
C21 C22 C23 N9 2.5(19) . . . . ?
C21 C22 C23 C24 -175.3(11) . . . . ?
C22 C23 C24 N10 -176.8(11) . . . . ?
C22 C23 C24 N12 11.3(18) . . . . ?
C23 N9 C19 C20 3.0(16) . . . . ?
C24 N10 N11 Co3 172.4(6) . . . . ?
C24 N10 N11 C25 -0.2(9) . . . . ?
C24 N12 C25 N11 0.5(10) . . . . ?
C24 N12 C25 C26 -175.6(8) . . . . ?
C25 N12 C24 N10 -0.6(10) . . . . ?
C25 N12 C24 C23 171.9(10) . . . . ?
C26 N13 N14 Co8 -160.7(6) . . . . ?
C26 N13 N14 C27 1.9(9) . . . . ?
C26 N15 C27 N14 2.7(12) . . . . ?
C26 N15 C27 C28 -173.2(11) . . . . ?
C27 N15 C26 N13 -1.4(11) . . . . ?
C27 N15 C26 C25 178.1(8) . . . . ?
C27 C28 C29 C30 176.0(13) . . . . ?
C28 N16 C32 C31 -1.3(19) . . . . ?
C28 C29 C30 C31 -1(3) . . . . ?
C29 C30 C31 C32 -3(3) . . . . ?
C30 C31 C32 N16 4(2) . . . . ?
C32 N16 C28 C27 -175.4(10) . . . . ?
C32 N16 C28 C29 -2.8(19) . . . . ?
C33 N17 C37 C36 -0.9(13) . . . . ?
C33 N17 C37 C38 -177.5(8) . . . . ?
C33 C34 C35 C36 0.8(16) . . . . ?
C34 C35 C36 C37 -1.8(16) . . . . ?
C35 C36 C37 N17 1.9(14) . . . . ?
C35 C36 C37 C38 178.2(9) . . . . ?
C36 C37 C38 N18 1.5(14) . . . . ?
C36 C37 C38 N19 -171.5(8) . . . . ?
C37 N17 C33 C34 -0.2(14) . . . . ?
C38 N18 C39 N20 -0.7(9) . . . . ?
C38 N18 C39 C40 -177.9(7) . . . . ?
C38 N19 N20 Co4 -155.6(5) . . . . ?
C38 N19 N20 C39 0.5(8) . . . . ?
C39 N18 C38 N19 1.0(9) . . . . ?
C39 N18 C38 C37 -172.4(8) . . . . ?
C40 N21 C41 N23 0.7(8) . . . . ?
C40 N21 C41 C42 174.5(7) . . . . ?
C40 N22 N23 Co10 -179.3(5) . . . . ?
C40 N22 N23 C41 -1.3(7) . . . . ?
C41 N21 C40 N22 -1.6(8) . . . . ?
C41 N21 C40 C39 176.8(6) . . . . ?
C41 C42 C43 C44 -173.0(8) . . . . ?
C42 N24 C46 C45 -1.8(12) . . . . ?
C42 C43 C44 C45 -0.2(15) . . . . ?
C43 C44 C45 C46 -0.2(16) . . . . ?
C44 C45 C46 N24 1.2(15) . . . . ?
C46 N24 C42 C41 174.7(7) . . . . ?
C46 N24 C42 C43 1.5(12) . . . . ?
C47 N25 C51 C50 -1.5(10) . . . . ?
C47 N25 C51 C52 174.5(6) . . . . ?
C47 C48 C49 C50 -2.4(12) . . . . ?
C48 C49 C50 C51 3.1(12) . . . . ?
C49 C50 C51 N25 -1.2(12) . . . . ?
C49 C50 C51 C52 -176.8(7) . . . . ?
C50 C51 C52 N26 173.1(7) . . . . ?
C50 C51 C52 N28 -4.0(12) . . . . ?
C51 N25 C47 C48 2.2(11) . . . . ?
C52 N26 N27 Co1 174.1(4) . . . . ?
C52 N26 N27 C53 -0.7(7) . . . . ?
C52 N28 C53 N27 1.5(7) . . . . ?
C52 N28 C53 C54 -179.8(6) . . . . ?
C53 N28 C52 N26 -1.9(7) . . . . ?
C53 N28 C52 C51 175.3(7) . . . . ?
C54 N29 C55 N31 -2.1(7) . . . . ?
C54 N29 C55 C56 171.4(7) . . . . ?
C54 N30 N31 Co12 159.5(5) . . . . ?
C54 N30 N31 C55 -0.1(6) . . . . ?
C55 N29 C54 N30 2.0(7) . . . . ?
C55 N29 C54 C53 -178.0(6) . . . . ?
C55 C56 C57 C58 -173.6(7) . . . . ?
C56 N32 C60 C59 1.2(10) . . . . ?
C56 C57 C58 C59 -0.3(11) . . . . ?
C57 C58 C59 C60 0.8(12) . . . . ?
C58 C59 C60 N32 -1.3(11) . . . . ?
C60 N32 C56 C55 173.7(6) . . . . ?
C60 N32 C56 C57 -0.7(10) . . . . ?
C61 N33 C65 C64 -3.9(14) . . . . ?
C61 N33 C65 C66 175.2(8) . . . . ?
C61 C62 C63 C64 -3.3(17) . . . . ?
C62 C63 C64 C65 2.6(17) . . . . ?
C63 C64 C65 N33 1.1(17) . . . . ?
C63 C64 C65 C66 -177.8(10) . . . . ?
C64 C65 C66 N34 -176.1(10) . . . . ?
C64 C65 C66 N36 8.6(17) . . . . ?
C65 N33 C61 C62 3.1(14) . . . . ?
C66 N34 N35 Co2 160.7(6) . . . . ?
C66 N34 N35 C67 -1.0(9) . . . . ?
C66 N36 C67 N35 -0.9(11) . . . . ?
C66 N36 C67 C68 177.6(8) . . . . ?
C67 N36 C66 N34 0.2(11) . . . . ?
C67 N36 C66 C65 175.8(10) . . . . ?
C68 N37 C69 N39 1.4(11) . . . . ?
C68 N37 C69 C70 -177.8(10) . . . . ?
C68 N38 N39 Co8 -172.4(6) . . . . ?
C68 N38 N39 C69 2.2(9) . . . . ?
C69 N37 C68 N38 0.1(11) . . . . ?
C69 N37 C68 C67 -178.3(9) . . . . ?
C69 C70 C71 C72 178.3(10) . . . . ?
C70 N40 C74 C73 -1.6(15) . . . . ?
C70 C71 C72 C73 -0.7(18) . . . . ?
C71 C72 C73 C74 0.8(18) . . . . ?
C72 C73 C74 N40 0.5(17) . . . . ?
C74 N40 C70 C69 -177.2(9) . . . . ?
C74 N40 C70 C71 1.6(15) . . . . ?
C75 N41 C79 C78 2.0(13) . . . . ?
C75 N41 C79 C80 176.6(7) . . . . ?
C75 C76 C77 C78 -2.1(16) . . . . ?
C76 C77 C78 C79 0.2(16) . . . . ?
C77 C78 C79 N41 -0.2(15) . . . . ?
C77 C78 C79 C80 -174.3(9) . . . . ?
C78 C79 C80 N42 167.6(9) . . . . ?
C78 C79 C80 N44 -6.5(15) . . . . ?
C79 N41 C75 C76 -3.8(13) . . . . ?
C80 N42 N43 Co2 165.1(5) . . . . ?
C80 N42 N43 C81 -2.2(8) . . . . ?
C80 N44 C81 N43 0.2(9) . . . . ?
C80 N44 C81 C82 177.7(7) . . . . ?
C81 N44 C80 N42 -1.7(9) . . . . ?
C81 N44 C80 C79 172.8(8) . . . . ?
C82 N45 C83 N46 -2.0(9) . . . . ?
C82 N45 C83 C84 171.6(8) . . . . ?
C83 N45 C82 N47 1.4(8) . . . . ?
C83 N45 C82 C81 -179.6(7) . . . . ?
C83 N46 N47 Co3 174.2(5) . . . . ?
C83 N46 N47 C82 -0.9(8) . . . . ?
C83 C84 C85 C86 -171.4(8) . . . . ?
C84 N48 C88 C87 -3.0(12) . . . . ?
C84 C85 C86 C87 0.8(13) . . . . ?
C85 C86 C87 C88 -1.7(13) . . . . ?
C86 C87 C88 N48 3.0(13) . . . . ?
C88 N48 C84 C83 173.3(7) . . . . ?
C88 N48 C84 C85 1.9(12) . . . . ?

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.038 0.500 0.500 3068 505 ' '
_platon_squeeze_details          
;
;
####################################################################### 
# 
# 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_0701-ypf-075b
_database_code_depnum_ccdc_archive 'CCDC 1028479'
_audit_update_record             
;
2014-10-09 deposited with the CCDC.
2015-03-05 downloaded from the CCDC.
;
_audit_creation_date             2013-05-17
_audit_creation_method           
;
  Olex2 1.1
  (compiled 2011.02.15 svn.r1672, GUI svn.r3494)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C31.3333 H26 Cl2 Co4.6667 N16 O3.3333'
_chemical_formula_sum            'C31.33 H26 Cl2 Co4.67 N16 O3.33'
_chemical_formula_weight         1025.92
_chemical_melting_point          ?
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'
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'
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'

_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_H-M_alt        'P -3'
_space_group_name_Hall           '-P 3'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-y, x-y, z'
3 '-x+y, -x, z'
4 '-x, -y, -z'
5 'y, -x+y, -z'
6 'x-y, x, -z'

_cell_length_a                   23.2046(4)
_cell_length_b                   23.2046(4)
_cell_length_c                   17.2439(19)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     8041.1(9)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    18358
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.8187
_cell_measurement_theta_min      2.9234
_exptl_absorpt_coefficient_mu    1.557
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.72112
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            ?
_exptl_crystal_density_diffrn    1.271
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ?
_exptl_crystal_F_000             3076
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.08
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0317
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            35310
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         2.93
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.1623
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_details      
;
#__ type_ start__ end____ width___ exp.time_
  1 omega  -48.00   77.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       22.9299  -19.0000   60.0000 250

#__ type_ start__ end____ width___ exp.time_
  2 omega  -92.00   14.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -      -19.3361  -77.0000  120.0000 212

#__ type_ start__ end____ width___ exp.time_
  3 omega   34.00   74.00   0.5000   45.0000
omega____ theta____ kappa____ phi______ frames
    -       22.9299 -178.0000   30.0000 80
;
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      0.0030911000
_diffrn_orient_matrix_UB_12      0.0037501000
_diffrn_orient_matrix_UB_13      0.0408234000
_diffrn_orient_matrix_UB_21      -0.0310968000
_diffrn_orient_matrix_UB_22      -0.0011541000
_diffrn_orient_matrix_UB_23      0.0017714000
_diffrn_orient_matrix_UB_31      -0.0163885000
_diffrn_orient_matrix_UB_32      -0.0350601000
_diffrn_orient_matrix_UB_33      0.0043007000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_source                   'SuperNova (Mo) X-ray Source'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                7980
_reflns_number_total             9706
_reflns_odcompleteness_completeness 99.86
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.21 (release 20-01-2012 CrysAlis171 .NET)
(compiled Jan 23 2012,18:06:46)
;
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    
'A short history of SHELX (Sheldrick, 2007)/Bruker'
_refine_diff_density_max         0.903
_refine_diff_density_min         -0.794
_refine_diff_density_rms         0.088
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     521
_refine_ls_number_reflns         9706
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0435
_refine_ls_restrained_S_all      1.090
_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)+(0.0923P)²+1.5462P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1383
_refine_ls_wR_factor_ref         0.1447
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Co1 Co 0.41293(2) 0.33246(3) 0.69164(3) 0.04256(15) Uani 1 1 d . . .
Co2 Co 0.39091(2) 0.44032(2) 0.77233(3) 0.03763(14) Uani 1 1 d . . .
Co3 Co 0.419140(19) 0.682920(19) 0.58309(2) 0.02627(13) Uani 1 1 d . . .
Co4 Co 0.59230(2) 0.71850(2) 0.65919(3) 0.03438(14) Uani 1 1 d . . .
Co5 Co 0.3333 0.6667 0.43251(4) 0.02523(17) Uani 1 3 d S . .
Co6 Co 0.3333 0.6667 0.20656(4) 0.02937(18) Uani 1 3 d S . .
Cl1 Cl 0.33004(8) 0.22001(7) 0.68060(10) 0.0972(5) Uani 1 1 d . . .
Cl2 Cl 0.38963(7) 0.45548(6) 0.90501(6) 0.0747(4) Uani 1 1 d . . .
O1 O 0.37333(15) 0.34734(14) 0.78420(17) 0.0571(7) Uani 1 1 d . . .
O2 O 0.44108(17) 0.43015(16) 0.68423(18) 0.0661(8) Uani 1 1 d . . .
O3 O 0.3333 0.6667 0.6425(2) 0.0305(8) Uani 1 3 d S . .
O4 O 0.39396(10) 0.74032(10) 0.51246(12) 0.0287(5) Uani 1 1 d . . .
N1 N 0.14044(15) 0.32228(15) 0.68444(18) 0.0457(7) Uani 1 1 d . . .
N2 N 0.22835(13) 0.44796(13) 0.66208(16) 0.0354(6) Uani 1 1 d . . .
N3 N 0.28108(12) 0.51099(13) 0.65352(15) 0.0302(6) Uani 1 1 d . . .
N4 N 0.31526(13) 0.44653(13) 0.71202(16) 0.0352(6) Uani 1 1 d . . .
N5 N 0.43603(14) 0.54659(14) 0.74768(16) 0.0370(6) Uani 1 1 d . . .
N6 N 0.43604(13) 0.61851(13) 0.65957(15) 0.0313(6) Uani 1 1 d . . .
N7 N 0.49790(14) 0.64459(14) 0.69279(16) 0.0378(6) Uani 1 1 d . . .
N8 N 0.60799(15) 0.67988(16) 0.77045(18) 0.0450(7) Uani 1 1 d . . .
N9 N 0.65752(16) 0.68629(17) 0.59893(18) 0.0497(8) Uani 1 1 d . . .
N10 N 0.55585(14) 0.69646(16) 0.54816(17) 0.0408(7) Uani 1 1 d . . .
N11 N 0.50274(13) 0.69563(14) 0.51015(15) 0.0319(6) Uani 1 1 d . . .
N12 N 0.56271(15) 0.67324(17) 0.42566(17) 0.0449(7) Uani 1 1 d . . .
N13 N 0.41595(12) 0.67780(12) 0.35821(14) 0.0279(6) Uani 1 1 d . . .
N14 N 0.40291(13) 0.66623(13) 0.28032(15) 0.0313(6) Uani 1 1 d . . .
N15 N 0.49532(14) 0.66361(14) 0.30181(15) 0.0360(6) Uani 1 1 d . . .
N16 N 0.38859(15) 0.63226(15) 0.13360(16) 0.0392(7) Uani 1 1 d . . .
C1 C 0.0951(2) 0.2576(2) 0.6857(3) 0.0680(13) Uani 1 1 d . . .
H1 H 0.0512 0.2448 0.6738 0.082 Uiso 1 1 calc R . .
C2 C 0.1101(3) 0.2095(2) 0.7034(4) 0.095(2) Uani 1 1 d . . .
H2 H 0.0772 0.1649 0.7023 0.114 Uiso 1 1 calc R . .
C3 C 0.1756(3) 0.2277(2) 0.7234(5) 0.105(2) Uani 1 1 d . . .
H3 H 0.1869 0.1957 0.7363 0.125 Uiso 1 1 calc R . .
C4 C 0.2225(2) 0.2941(2) 0.7236(3) 0.0677(13) Uani 1 1 d . . .
H4 H 0.2664 0.3082 0.7370 0.081 Uiso 1 1 calc R . .
C5 C 0.20323(19) 0.33973(18) 0.7033(2) 0.0441(9) Uani 1 1 d . . .
C6 C 0.25006(17) 0.41107(16) 0.69529(19) 0.0362(7) Uani 1 1 d . . .
C7 C 0.33179(16) 0.50810(15) 0.68422(17) 0.0300(7) Uani 1 1 d . . .
C8 C 0.40051(16) 0.55932(15) 0.69476(18) 0.0304(7) Uani 1 1 d . . .
C9 C 0.49540(17) 0.60149(17) 0.74439(19) 0.0363(7) Uani 1 1 d . . .
C10 C 0.55437(18) 0.62132(19) 0.7930(2) 0.0436(8) Uani 1 1 d . . .
C11 C 0.5540(2) 0.5873(2) 0.8583(2) 0.0616(11) Uani 1 1 d . . .
H11 H 0.5167 0.5470 0.8714 0.074 Uiso 1 1 calc R . .
C12 C 0.6110(3) 0.6145(3) 0.9046(3) 0.0753(15) Uani 1 1 d . . .
H12 H 0.6123 0.5929 0.9495 0.090 Uiso 1 1 calc R . .
C13 C 0.6653(2) 0.6741(3) 0.8825(3) 0.0709(13) Uani 1 1 d . . .
H13 H 0.7039 0.6933 0.9122 0.085 Uiso 1 1 calc R . .
C14 C 0.6615(2) 0.7049(2) 0.8150(3) 0.0607(11) Uani 1 1 d . . .
H14 H 0.6984 0.7450 0.8006 0.073 Uiso 1 1 calc R . .
C15 C 0.7067(2) 0.6777(2) 0.6275(3) 0.0628(12) Uani 1 1 d . . .
H15 H 0.7159 0.6844 0.6802 0.075 Uiso 1 1 calc R . .
C16 C 0.7443(3) 0.6594(3) 0.5827(3) 0.0787(16) Uani 1 1 d . . .
H16 H 0.7790 0.6558 0.6044 0.094 Uiso 1 1 calc R . .
C17 C 0.7294(3) 0.6468(3) 0.5058(3) 0.0896(19) Uani 1 1 d . . .
H17 H 0.7532 0.6334 0.4745 0.108 Uiso 1 1 calc R . .
C18 C 0.6787(3) 0.6543(3) 0.4752(3) 0.0781(16) Uani 1 1 d . . .
H18 H 0.6676 0.6458 0.4230 0.094 Uiso 1 1 calc R . .
C19 C 0.6446(2) 0.6746(2) 0.5230(2) 0.0510(10) Uani 1 1 d . . .
C20 C 0.58884(18) 0.6822(2) 0.4967(2) 0.0442(9) Uani 1 1 d . . .
C21 C 0.51028(15) 0.68240(16) 0.43725(18) 0.0325(7) Uani 1 1 d . . .
C22 C 0.47167(15) 0.67572(16) 0.36797(17) 0.0298(7) Uani 1 1 d . . .
C23 C 0.44972(16) 0.65731(16) 0.24976(18) 0.0335(7) Uani 1 1 d . . .
C24 C 0.44211(17) 0.63547(17) 0.16844(19) 0.0370(7) Uani 1 1 d . . .
C25 C 0.4822(2) 0.6147(2) 0.1334(2) 0.0532(10) Uani 1 1 d . . .
H25 H 0.5188 0.6177 0.1593 0.064 Uiso 1 1 calc R . .
C26 C 0.4667(2) 0.5895(3) 0.0595(2) 0.0650(12) Uani 1 1 d . . .
H26 H 0.4922 0.5742 0.0348 0.078 Uiso 1 1 calc R . .
C27 C 0.4136(3) 0.5871(3) 0.0229(3) 0.0674(13) Uani 1 1 d . . .
H27 H 0.4029 0.5709 -0.0275 0.081 Uiso 1 1 calc R . .
C28 C 0.3758(2) 0.6088(2) 0.0611(2) 0.0544(10) Uani 1 1 d . . .
H28 H 0.3398 0.6070 0.0353 0.065 Uiso 1 1 calc R . .
C29 C 0.3427(5) 0.3025(5) 0.8426(6) 0.168(4) Uani 1 1 d . . .
H29A H 0.3627 0.3226 0.8912 0.252 Uiso 1 1 calc R . .
H29B H 0.3474 0.2642 0.8339 0.252 Uiso 1 1 calc R . .
H29C H 0.2963 0.2891 0.8436 0.252 Uiso 1 1 calc R . .
C30 C 0.4819(5) 0.4751(4) 0.6279(6) 0.178(5) Uani 1 1 d . . .
H30A H 0.4717 0.5102 0.6229 0.267 Uiso 1 1 calc R . .
H30B H 0.4745 0.4525 0.5791 0.267 Uiso 1 1 calc R . .
H30C H 0.5276 0.4935 0.6427 0.267 Uiso 1 1 calc R . .
C31 C 0.3333 0.6667 0.7257(4) 0.0484(16) Uani 1 3 d S . .
H31A H 0.3701 0.6626 0.7442 0.073 Uiso 0.33 1 calc PR A -1
H31B H 0.2924 0.6299 0.7442 0.073 Uiso 0.33 1 calc PR A -1
H31C H 0.3374 0.7076 0.7442 0.073 Uiso 0.33 1 calc PR A -1
C32 C 0.44747(18) 0.80235(17) 0.4853(2) 0.0447(9) Uani 1 1 d . . .
H32A H 0.4888 0.8028 0.4917 0.067 Uiso 1 1 calc R . .
H32B H 0.4487 0.8381 0.5145 0.067 Uiso 1 1 calc R . .
H32C H 0.4409 0.8077 0.4314 0.067 Uiso 1 1 calc R . .


_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
Co1 Cl1 2.3507(14) . ?
Co1 O1 1.957(3) . ?
Co1 O2 2.025(3) . ?
Co1 N12 2.122(3) 4_666 ?
Co1 N15 2.088(3) 4_666 ?
Co2 Cl2 2.3173(12) . ?
Co2 O1 1.996(3) . ?
Co2 O2 1.998(3) . ?
Co2 N4 2.106(3) . ?
Co2 N5 2.185(3) . ?
Co3 O3 2.0986(18) . ?
Co3 O4 2.092(2) . ?
Co3 O4 2.123(2) 3_565 ?
Co3 N3 2.217(3) 2_665 ?
Co3 N6 2.171(3) . ?
Co3 N11 2.205(3) . ?
Co4 N1 2.210(3) 2_665 ?
Co4 N2 2.069(3) 2_665 ?
Co4 N7 2.078(3) . ?
Co4 N8 2.223(3) . ?
Co4 N9 2.249(3) . ?
Co4 N10 2.052(3) . ?
Co5 O4 2.097(2) 2_665 ?
Co5 O4 2.097(2) . ?
Co5 O4 2.097(2) 3_565 ?
Co5 N13 2.211(2) 2_665 ?
Co5 N13 2.211(2) 3_565 ?
Co5 N13 2.211(2) . ?
Co6 N14 2.059(3) 2_665 ?
Co6 N14 2.059(3) 3_565 ?
Co6 N14 2.059(3) . ?
Co6 N16 2.211(3) 2_665 ?
Co6 N16 2.211(3) 3_565 ?
Co6 N16 2.211(3) . ?
O1 C29 1.364(9) . ?
O2 C30 1.393(8) . ?
O3 Co3 2.0985(18) 2_665 ?
O3 Co3 2.0986(18) 3_565 ?
O3 C31 1.435(7) . ?
O4 Co3 2.123(2) 2_665 ?
O4 C32 1.430(4) . ?
N1 Co4 2.210(3) 3_565 ?
N1 C1 1.334(5) . ?
N1 C5 1.342(5) . ?
N2 Co4 2.069(3) 3_565 ?
N2 N3 1.367(4) . ?
N2 C6 1.321(4) . ?
N3 Co3 2.217(3) 3_565 ?
N3 C7 1.322(4) . ?
N4 C6 1.343(4) . ?
N4 C7 1.368(4) . ?
N5 C8 1.358(4) . ?
N5 C9 1.330(4) . ?
N6 N7 1.373(4) . ?
N6 C8 1.342(4) . ?
N7 C9 1.318(4) . ?
N8 C10 1.362(5) . ?
N8 C14 1.322(5) . ?
N9 C15 1.347(5) . ?
N9 C19 1.341(5) . ?
N10 N11 1.387(4) . ?
N10 C20 1.317(4) . ?
N11 C21 1.326(4) . ?
N12 Co1 2.122(3) 4_666 ?
N12 C20 1.337(5) . ?
N12 C21 1.351(4) . ?
N13 N14 1.373(3) . ?
N13 C22 1.328(4) . ?
N14 C23 1.313(4) . ?
N15 Co1 2.088(3) 4_666 ?
N15 C22 1.355(4) . ?
N15 C23 1.339(4) . ?
N16 C24 1.348(4) . ?
N16 C28 1.336(4) . ?
C1 H1 0.9300 . ?
C1 C2 1.359(7) . ?
C2 H2 0.9300 . ?
C2 C3 1.401(8) . ?
C3 H3 0.9300 . ?
C3 C4 1.372(7) . ?
C4 H4 0.9300 . ?
C4 C5 1.384(6) . ?
C5 C6 1.463(5) . ?
C7 C8 1.447(4) . ?
C9 C10 1.469(5) . ?
C10 C11 1.373(5) . ?
C11 H11 0.9300 . ?
C11 C12 1.398(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.378(7) . ?
C13 H13 0.9300 . ?
C13 C14 1.392(6) . ?
C14 H14 0.9300 . ?
C15 H15 0.9300 . ?
C15 C16 1.380(6) . ?
C16 H16 0.9300 . ?
C16 C17 1.364(7) . ?
C17 H17 0.9300 . ?
C17 C18 1.377(6) . ?
C18 H18 0.9300 . ?
C18 C19 1.377(6) . ?
C19 C20 1.463(5) . ?
C21 C22 1.454(4) . ?
C23 C24 1.471(4) . ?
C24 C25 1.382(5) . ?
C25 H25 0.9300 . ?
C25 C26 1.374(5) . ?
C26 H26 0.9300 . ?
C26 C27 1.361(6) . ?
C27 H27 0.9300 . ?
C27 C28 1.378(6) . ?
C28 H28 0.9300 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?

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 Co1 Cl1 93.79(10) . . ?
O1 Co1 O2 76.76(12) . . ?
O1 Co1 N12 162.14(12) . 4_666 ?
O1 Co1 N15 120.45(12) . 4_666 ?
O2 Co1 Cl1 149.82(11) . . ?
O2 Co1 N12 93.60(13) . 4_666 ?
O2 Co1 N15 101.73(13) . 4_666 ?
N12 Co1 Cl1 87.09(10) 4_666 . ?
N15 Co1 Cl1 107.66(9) 4_666 . ?
N15 Co1 N12 75.92(11) 4_666 4_666 ?
O1 Co2 Cl2 92.96(9) . . ?
O1 Co2 O2 76.50(12) . . ?
O1 Co2 N4 113.44(12) . . ?
O1 Co2 N5 164.46(11) . . ?
O2 Co2 Cl2 145.18(11) . . ?
O2 Co2 N4 100.80(12) . . ?
O2 Co2 N5 90.38(12) . . ?
N4 Co2 Cl2 113.75(9) . . ?
N4 Co2 N5 76.83(10) . . ?
N5 Co2 Cl2 93.21(8) . . ?
O3 Co3 O4 81.04(9) . 3_565 ?
O3 Co3 N3 95.28(9) . 2_665 ?
O3 Co3 N6 93.54(9) . . ?
O3 Co3 N11 174.12(11) . . ?
O4 Co3 O3 81.75(9) . . ?
O4 Co3 O4 80.96(11) . 3_565 ?
O4 Co3 N3 92.73(9) . 2_665 ?
O4 Co3 N3 173.07(9) 3_565 2_665 ?
O4 Co3 N6 96.41(9) 3_565 . ?
O4 Co3 N6 174.89(9) . . ?
O4 Co3 N11 93.57(9) 3_565 . ?
O4 Co3 N11 95.16(9) . . ?
N6 Co3 N3 89.65(10) . 2_665 ?
N6 Co3 N11 89.36(10) . . ?
N11 Co3 N3 89.85(10) . 2_665 ?
N1 Co4 N8 90.56(11) 2_665 . ?
N1 Co4 N9 92.19(12) 2_665 . ?
N2 Co4 N1 75.45(11) 2_665 2_665 ?
N2 Co4 N7 84.87(11) 2_665 . ?
N2 Co4 N8 118.74(12) 2_665 . ?
N2 Co4 N9 148.67(12) 2_665 . ?
N7 Co4 N1 146.37(12) . 2_665 ?
N7 Co4 N8 75.18(11) . . ?
N7 Co4 N9 117.47(12) . . ?
N8 Co4 N9 89.53(11) . . ?
N10 Co4 N1 119.14(12) . 2_665 ?
N10 Co4 N2 85.56(11) . 2_665 ?
N10 Co4 N7 85.49(12) . . ?
N10 Co4 N8 146.61(12) . . ?
N10 Co4 N9 75.41(11) . . ?
O4 Co5 O4 81.46(9) 2_665 . ?
O4 Co5 O4 81.46(9) 2_665 3_565 ?
O4 Co5 O4 81.46(9) . 3_565 ?
O4 Co5 N13 92.98(8) . 2_665 ?
O4 Co5 N13 95.54(8) 2_665 2_665 ?
O4 Co5 N13 174.00(9) 3_565 2_665 ?
O4 Co5 N13 92.98(8) 2_665 3_565 ?
O4 Co5 N13 174.00(9) . 3_565 ?
O4 Co5 N13 174.00(9) 2_665 . ?
O4 Co5 N13 95.54(8) 3_565 3_565 ?
O4 Co5 N13 92.98(8) 3_565 . ?
O4 Co5 N13 95.54(8) . . ?
N13 Co5 N13 89.79(9) 2_665 3_565 ?
N13 Co5 N13 89.79(9) 2_665 . ?
N13 Co5 N13 89.79(9) 3_565 . ?
N14 Co6 N14 85.86(10) 2_665 3_565 ?
N14 Co6 N14 85.86(10) 2_665 . ?
N14 Co6 N14 85.86(10) 3_565 . ?
N14 Co6 N16 149.47(11) 3_565 2_665 ?
N14 Co6 N16 75.64(10) 2_665 2_665 ?
N14 Co6 N16 116.17(11) . 2_665 ?
N14 Co6 N16 116.17(11) 2_665 3_565 ?
N14 Co6 N16 75.64(10) 3_565 3_565 ?
N14 Co6 N16 149.47(11) 2_665 . ?
N14 Co6 N16 149.47(11) . 3_565 ?
N14 Co6 N16 75.64(10) . . ?
N14 Co6 N16 116.17(11) 3_565 . ?
N16 Co6 N16 90.82(10) 2_665 3_565 ?
N16 Co6 N16 90.82(10) 2_665 . ?
N16 Co6 N16 90.82(10) 3_565 . ?
Co1 O1 Co2 104.30(13) . . ?
C29 O1 Co1 125.4(5) . . ?
C29 O1 Co2 130.3(5) . . ?
Co2 O2 Co1 101.73(14) . . ?
C30 O2 Co1 126.8(4) . . ?
C30 O2 Co2 131.3(4) . . ?
Co3 O3 Co3 98.22(11) 3_565 . ?
Co3 O3 Co3 98.22(11) 2_665 . ?
Co3 O3 Co3 98.22(11) 2_665 3_565 ?
C31 O3 Co3 119.20(8) . 3_565 ?
C31 O3 Co3 119.20(8) . 2_665 ?
C31 O3 Co3 119.20(8) . . ?
Co3 O4 Co3 97.67(9) . 2_665 ?
Co3 O4 Co5 98.68(9) . . ?
Co5 O4 Co3 97.72(8) . 2_665 ?
C32 O4 Co3 121.4(2) . 2_665 ?
C32 O4 Co3 116.9(2) . . ?
C32 O4 Co5 119.7(2) . . ?
C1 N1 Co4 128.7(3) . 3_565 ?
C1 N1 C5 117.5(4) . . ?
C5 N1 Co4 113.8(2) . 3_565 ?
N3 N2 Co4 133.7(2) . 3_565 ?
C6 N2 Co4 116.1(2) . 3_565 ?
C6 N2 N3 108.2(3) . . ?
N2 N3 Co3 116.69(19) . 3_565 ?
C7 N3 Co3 138.4(2) . 3_565 ?
C7 N3 N2 104.2(2) . . ?
C6 N4 Co2 141.8(2) . . ?
C6 N4 C7 101.9(3) . . ?
C7 N4 Co2 115.9(2) . . ?
C8 N5 Co2 112.1(2) . . ?
C9 N5 Co2 140.5(2) . . ?
C9 N5 C8 102.3(3) . . ?
N7 N6 Co3 117.31(19) . . ?
C8 N6 Co3 138.5(2) . . ?
C8 N6 N7 103.5(2) . . ?
N6 N7 Co4 133.3(2) . . ?
C9 N7 Co4 116.3(2) . . ?
C9 N7 N6 107.9(3) . . ?
C10 N8 Co4 113.4(2) . . ?
C14 N8 Co4 129.2(3) . . ?
C14 N8 C10 117.4(3) . . ?
C15 N9 Co4 129.9(3) . . ?
C19 N9 Co4 113.5(2) . . ?
C19 N9 C15 116.5(3) . . ?
N11 N10 Co4 134.2(2) . . ?
C20 N10 Co4 118.2(2) . . ?
C20 N10 N11 107.6(3) . . ?
N10 N11 Co3 116.64(19) . . ?
C21 N11 Co3 136.0(2) . . ?
C21 N11 N10 103.4(2) . . ?
C20 N12 Co1 140.3(2) . 4_666 ?
C20 N12 C21 102.3(3) . . ?
C21 N12 Co1 116.1(2) . 4_666 ?
N14 N13 Co5 116.77(18) . . ?
C22 N13 Co5 136.5(2) . . ?
C22 N13 N14 103.9(2) . . ?
N13 N14 Co6 134.40(19) . . ?
C23 N14 Co6 117.7(2) . . ?
C23 N14 N13 107.7(2) . . ?
C22 N15 Co1 117.1(2) . 4_666 ?
C23 N15 Co1 140.7(2) . 4_666 ?
C23 N15 C22 102.0(3) . . ?
C24 N16 Co6 114.3(2) . . ?
C28 N16 Co6 129.0(3) . . ?
C28 N16 C24 116.7(3) . . ?
N1 C1 H1 118.5 . . ?
N1 C1 C2 123.1(5) . . ?
C2 C1 H1 118.5 . . ?
C1 C2 H2 120.3 . . ?
C1 C2 C3 119.5(5) . . ?
C3 C2 H2 120.3 . . ?
C2 C3 H3 120.9 . . ?
C4 C3 C2 118.1(5) . . ?
C4 C3 H3 120.9 . . ?
C3 C4 H4 120.7 . . ?
C3 C4 C5 118.6(4) . . ?
C5 C4 H4 120.7 . . ?
N1 C5 C4 123.2(4) . . ?
N1 C5 C6 113.5(3) . . ?
C4 C5 C6 123.2(4) . . ?
N2 C6 N4 111.9(3) . . ?
N2 C6 C5 117.8(3) . . ?
N4 C6 C5 130.1(3) . . ?
N3 C7 N4 113.7(3) . . ?
N3 C7 C8 130.7(3) . . ?
N4 C7 C8 115.6(3) . . ?
N5 C8 C7 116.4(3) . . ?
N6 C8 N5 113.4(3) . . ?
N6 C8 C7 130.1(3) . . ?
N5 C9 C10 129.2(3) . . ?
N7 C9 N5 112.8(3) . . ?
N7 C9 C10 117.8(3) . . ?
N8 C10 C9 113.1(3) . . ?
N8 C10 C11 123.2(3) . . ?
C11 C10 C9 123.4(4) . . ?
C10 C11 H11 120.8 . . ?
C10 C11 C12 118.5(4) . . ?
C12 C11 H11 120.8 . . ?
C11 C12 H12 120.7 . . ?
C13 C12 C11 118.6(4) . . ?
C13 C12 H12 120.7 . . ?
C12 C13 H13 120.5 . . ?
C12 C13 C14 119.1(4) . . ?
C14 C13 H13 120.5 . . ?
N8 C14 C13 123.2(4) . . ?
N8 C14 H14 118.4 . . ?
C13 C14 H14 118.4 . . ?
N9 C15 H15 118.2 . . ?
N9 C15 C16 123.6(4) . . ?
C16 C15 H15 118.2 . . ?
C15 C16 H16 120.7 . . ?
C17 C16 C15 118.6(4) . . ?
C17 C16 H16 120.7 . . ?
C16 C17 H17 120.5 . . ?
C16 C17 C18 119.0(5) . . ?
C18 C17 H17 120.5 . . ?
C17 C18 H18 120.4 . . ?
C19 C18 C17 119.2(4) . . ?
C19 C18 H18 120.4 . . ?
N9 C19 C18 123.0(4) . . ?
N9 C19 C20 113.5(3) . . ?
C18 C19 C20 123.4(4) . . ?
N10 C20 N12 112.4(3) . . ?
N10 C20 C19 118.9(3) . . ?
N12 C20 C19 128.6(3) . . ?
N11 C21 N12 114.2(3) . . ?
N11 C21 C22 131.1(3) . . ?
N12 C21 C22 114.7(3) . . ?
N13 C22 N15 113.8(3) . . ?
N13 C22 C21 131.2(3) . . ?
N15 C22 C21 115.0(3) . . ?
N14 C23 N15 112.6(3) . . ?
N14 C23 C24 118.1(3) . . ?
N15 C23 C24 129.0(3) . . ?
N16 C24 C23 113.1(3) . . ?
N16 C24 C25 123.2(3) . . ?
C25 C24 C23 123.4(3) . . ?
C24 C25 H25 120.8 . . ?
C26 C25 C24 118.4(4) . . ?
C26 C25 H25 120.8 . . ?
C25 C26 H26 120.4 . . ?
C27 C26 C25 119.1(4) . . ?
C27 C26 H26 120.4 . . ?
C26 C27 H27 120.3 . . ?
C26 C27 C28 119.4(4) . . ?
C28 C27 H27 120.3 . . ?
N16 C28 C27 123.0(4) . . ?
N16 C28 H28 118.5 . . ?
C27 C28 H28 118.5 . . ?
O1 C29 H29A 109.5 . . ?
O1 C29 H29B 109.5 . . ?
O1 C29 H29C 109.5 . . ?
H29A C29 H29B 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
O2 C30 H30A 109.5 . . ?
O2 C30 H30B 109.5 . . ?
O2 C30 H30C 109.5 . . ?
H30A C30 H30B 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
O3 C31 H31A 109.5 . . ?
O3 C31 H31B 109.5 . . ?
O3 C31 H31C 109.5 . . ?
O4 C32 H32A 109.5 . . ?
O4 C32 H32B 109.5 . . ?
O4 C32 H32C 109.5 . . ?
H32A C32 H32B 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 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
Co1 N12 C20 N10 165.0(3) 4_666 . . . ?
Co1 N12 C20 C19 -18.7(7) 4_666 . . . ?
Co1 N12 C21 N11 -170.4(2) 4_666 . . . ?
Co1 N12 C21 C22 9.9(4) 4_666 . . . ?
Co1 N15 C22 N13 174.8(2) 4_666 . . . ?
Co1 N15 C22 C21 -6.8(4) 4_666 . . . ?
Co1 N15 C23 N14 -172.4(3) 4_666 . . . ?
Co1 N15 C23 C24 14.8(6) 4_666 . . . ?
Co2 N4 C6 N2 170.4(3) . . . . ?
Co2 N4 C6 C5 -14.4(6) . . . . ?
Co2 N4 C7 N3 -173.8(2) . . . . ?
Co2 N4 C7 C8 4.7(3) . . . . ?
Co2 N5 C8 N6 -159.3(2) . . . . ?
Co2 N5 C8 C7 20.1(3) . . . . ?
Co2 N5 C9 N7 149.1(3) . . . . ?
Co2 N5 C9 C10 -35.8(6) . . . . ?
Co3 N3 C7 N4 -169.0(2) 3_565 . . . ?
Co3 N3 C7 C8 12.9(6) 3_565 . . . ?
Co3 N6 N7 Co4 -27.6(4) . . . . ?
Co3 N6 N7 C9 171.8(2) . . . . ?
Co3 N6 C8 N5 -170.1(2) . . . . ?
Co3 N6 C8 C7 10.6(6) . . . . ?
Co3 N11 C21 N12 -154.1(3) . . . . ?
Co3 N11 C21 C22 25.5(6) . . . . ?
Co4 N1 C1 C2 -178.9(5) 3_565 . . . ?
Co4 N1 C5 C4 177.9(4) 3_565 . . . ?
Co4 N1 C5 C6 -5.9(4) 3_565 . . . ?
Co4 N2 N3 Co3 -26.3(4) 3_565 . . 3_565 ?
Co4 N2 N3 C7 161.6(2) 3_565 . . . ?
Co4 N2 C6 N4 -164.5(2) 3_565 . . . ?
Co4 N2 C6 C5 19.6(4) 3_565 . . . ?
Co4 N7 C9 N5 -163.0(2) . . . . ?
Co4 N7 C9 C10 21.3(4) . . . . ?
Co4 N8 C10 C9 -7.7(4) . . . . ?
Co4 N8 C10 C11 177.4(3) . . . . ?
Co4 N8 C14 C13 -177.7(4) . . . . ?
Co4 N9 C15 C16 -178.0(4) . . . . ?
Co4 N9 C19 C18 -179.9(4) . . . . ?
Co4 N9 C19 C20 -2.7(5) . . . . ?
Co4 N10 N11 Co3 -23.9(4) . . . . ?
Co4 N10 N11 C21 174.9(3) . . . . ?
Co4 N10 C20 N12 -175.8(3) . . . . ?
Co4 N10 C20 C19 7.6(5) . . . . ?
Co5 N13 N14 Co6 21.7(3) . . . . ?
Co5 N13 N14 C23 -163.2(2) . . . . ?
Co5 N13 C22 N15 159.1(2) . . . . ?
Co5 N13 C22 C21 -19.0(6) . . . . ?
Co6 N14 C23 N15 174.6(2) . . . . ?
Co6 N14 C23 C24 -11.7(4) . . . . ?
Co6 N16 C24 C23 3.7(4) . . . . ?
Co6 N16 C24 C25 178.3(3) . . . . ?
Co6 N16 C28 C27 -178.0(4) . . . . ?
Cl1 Co1 O1 Co2 -144.47(12) . . . . ?
Cl1 Co1 O1 C29 36.9(6) . . . . ?
Cl1 Co1 O2 Co2 68.0(2) . . . . ?
Cl1 Co1 O2 C30 -108.6(7) . . . . ?
Cl2 Co2 O1 Co1 -153.00(12) . . . . ?
Cl2 Co2 O1 C29 25.5(6) . . . . ?
Cl2 Co2 O2 Co1 81.7(2) . . . . ?
Cl2 Co2 O2 C30 -102.0(7) . . . . ?
Cl2 Co2 N4 C6 -79.0(4) . . . . ?
Cl2 Co2 N4 C7 92.1(2) . . . . ?
Cl2 Co2 N5 C8 -126.8(2) . . . . ?
Cl2 Co2 N5 C9 84.5(4) . . . . ?
O1 Co1 O2 Co2 -6.42(14) . . . . ?
O1 Co1 O2 C30 177.0(7) . . . . ?
O1 Co2 O2 Co1 6.30(13) . . . . ?
O1 Co2 O2 C30 -177.4(7) . . . . ?
O1 Co2 N4 C6 25.6(4) . . . . ?
O1 Co2 N4 C7 -163.3(2) . . . . ?
O1 Co2 N5 C8 119.9(4) . . . . ?
O1 Co2 N5 C9 -28.7(7) . . . . ?
O2 Co1 O1 Co2 6.50(14) . . . . ?
O2 Co1 O1 C29 -172.1(6) . . . . ?
O2 Co2 O1 Co1 -6.59(14) . . . . ?
O2 Co2 O1 C29 171.9(6) . . . . ?
O2 Co2 N4 C6 105.4(4) . . . . ?
O2 Co2 N4 C7 -83.5(2) . . . . ?
O2 Co2 N5 C8 87.8(2) . . . . ?
O2 Co2 N5 C9 -60.8(4) . . . . ?
O3 Co3 O4 Co3 8.71(8) . . . 2_665 ?
O3 Co3 O4 Co5 -90.37(9) . . . . ?
O3 Co3 O4 C32 139.8(2) . . . . ?
O3 Co3 N6 N7 -127.2(2) . . . . ?
O3 Co3 N6 C8 41.8(3) . . . . ?
O3 Co3 N11 N10 -154.0(6) . . . . ?
O3 Co3 N11 C21 -0.9(10) . . . . ?
O4 Co3 O3 Co3 8.71(9) 3_565 . . 3_565 ?
O4 Co3 O3 Co3 -90.90(10) 3_565 . . 2_665 ?
O4 Co3 O3 Co3 -8.82(9) . . . 2_665 ?
O4 Co3 O3 Co3 90.79(10) . . . 3_565 ?
O4 Co3 O3 C31 138.91(6) 3_565 . . . ?
O4 Co3 O3 C31 -139.02(6) . . . . ?
O4 Co3 O4 Co3 90.87(8) 3_565 . . 2_665 ?
O4 Co3 O4 Co5 -8.21(8) 3_565 . . . ?
O4 Co3 O4 C32 -138.0(2) 3_565 . . . ?
O4 Co3 N6 N7 151.4(2) 3_565 . . . ?
O4 Co3 N6 N7 -149.8(9) . . . . ?
O4 Co3 N6 C8 19.2(12) . . . . ?
O4 Co3 N6 C8 -39.5(3) 3_565 . . . ?
O4 Co3 N11 N10 148.0(2) . . . . ?
O4 Co3 N11 N10 -130.8(2) 3_565 . . . ?
O4 Co3 N11 C21 -58.9(3) . . . . ?
O4 Co3 N11 C21 22.4(3) 3_565 . . . ?
O4 Co5 O4 Co3 -8.16(8) 2_665 . . 2_665 ?
O4 Co5 O4 Co3 8.30(8) 3_565 . . . ?
O4 Co5 O4 Co3 90.87(2) 2_665 . . . ?
O4 Co5 O4 Co3 -90.73(2) 3_565 . . 2_665 ?
O4 Co5 O4 C32 -141.2(3) 2_665 . . . ?
O4 Co5 O4 C32 136.3(3) 3_565 . . . ?
O4 Co5 N13 N14 130.6(2) 3_565 . . . ?
O4 Co5 N13 N14 152.5(7) 2_665 . . . ?
O4 Co5 N13 N14 -147.7(2) . . . . ?
O4 Co5 N13 C22 -4.7(10) 2_665 . . . ?
O4 Co5 N13 C22 55.1(3) . . . . ?
O4 Co5 N13 C22 -26.6(3) 3_565 . . . ?
N1 Co4 N7 N6 114.2(3) 2_665 . . . ?
N1 Co4 N7 C9 -86.4(3) 2_665 . . . ?
N1 Co4 N8 C10 163.0(3) 2_665 . . . ?
N1 Co4 N8 C14 -18.7(4) 2_665 . . . ?
N1 Co4 N9 C15 64.9(4) 2_665 . . . ?
N1 Co4 N9 C19 -114.7(3) 2_665 . . . ?
N1 Co4 N10 N11 -98.6(3) 2_665 . . . ?
N1 Co4 N10 C20 77.7(3) 2_665 . . . ?
N1 C1 C2 C3 1.7(11) . . . . ?
N1 C5 C6 N2 -8.4(5) . . . . ?
N1 C5 C6 N4 176.6(3) . . . . ?
N2 Co4 N7 N6 60.4(3) 2_665 . . . ?
N2 Co4 N7 C9 -140.2(3) 2_665 . . . ?
N2 Co4 N8 C10 89.3(3) 2_665 . . . ?
N2 Co4 N8 C14 -92.4(4) 2_665 . . . ?
N2 Co4 N9 C15 130.1(4) 2_665 . . . ?
N2 Co4 N9 C19 -49.5(4) 2_665 . . . ?
N2 Co4 N10 N11 -28.0(3) 2_665 . . . ?
N2 Co4 N10 C20 148.3(3) 2_665 . . . ?
N2 N3 C7 N4 0.4(3) . . . . ?
N2 N3 C7 C8 -177.8(3) . . . . ?
N3 Co3 O3 Co3 -177.21(9) 2_665 . . 3_565 ?
N3 Co3 O3 Co3 83.19(11) 2_665 . . 2_665 ?
N3 Co3 O3 C31 -47.01(7) 2_665 . . . ?
N3 Co3 O4 Co3 -86.24(9) 2_665 . . 2_665 ?
N3 Co3 O4 Co5 174.69(9) 2_665 . . . ?
N3 Co3 O4 C32 44.9(2) 2_665 . . . ?
N3 Co3 N6 N7 -31.9(2) 2_665 . . . ?
N3 Co3 N6 C8 137.1(3) 2_665 . . . ?
N3 Co3 N11 N10 55.2(2) 2_665 . . . ?
N3 Co3 N11 C21 -151.6(3) 2_665 . . . ?
N3 N2 C6 N4 1.8(4) . . . . ?
N3 N2 C6 C5 -174.1(3) . . . . ?
N3 C7 C8 N5 161.1(3) . . . . ?
N3 C7 C8 N6 -19.6(6) . . . . ?
N4 Co2 O1 Co1 89.49(15) . . . . ?
N4 Co2 O1 C29 -92.0(6) . . . . ?
N4 Co2 O2 Co1 -105.45(14) . . . . ?
N4 Co2 O2 C30 70.9(7) . . . . ?
N4 Co2 N5 C8 -13.2(2) . . . . ?
N4 Co2 N5 C9 -161.8(4) . . . . ?
N4 C7 C8 N5 -17.0(4) . . . . ?
N4 C7 C8 N6 162.3(3) . . . . ?
N5 Co2 O1 Co1 -39.7(5) . . . . ?
N5 Co2 O1 C29 138.8(7) . . . . ?
N5 Co2 O2 Co1 177.88(14) . . . . ?
N5 Co2 O2 C30 -5.8(7) . . . . ?
N5 Co2 N4 C6 -166.7(4) . . . . ?
N5 Co2 N4 C7 4.4(2) . . . . ?
N5 C9 C10 N8 176.9(3) . . . . ?
N5 C9 C10 C11 -8.2(6) . . . . ?
N6 Co3 O3 Co3 173.16(10) . . . 2_665 ?
N6 Co3 O3 Co3 -87.23(11) . . . 3_565 ?
N6 Co3 O3 C31 42.96(7) . . . . ?
N6 Co3 O4 Co3 31.5(11) . . . 2_665 ?
N6 Co3 O4 Co5 -67.6(10) . . . . ?
N6 Co3 O4 C32 162.6(10) . . . . ?
N6 Co3 N11 N10 -34.4(2) . . . . ?
N6 Co3 N11 C21 118.7(3) . . . . ?
N6 N7 C9 N5 1.4(4) . . . . ?
N6 N7 C9 C10 -174.3(3) . . . . ?
N7 Co4 N8 C10 13.8(3) . . . . ?
N7 Co4 N8 C14 -167.9(4) . . . . ?
N7 Co4 N9 C15 -98.6(4) . . . . ?
N7 Co4 N9 C19 81.8(3) . . . . ?
N7 Co4 N10 N11 57.2(3) . . . . ?
N7 Co4 N10 C20 -126.5(3) . . . . ?
N7 N6 C8 N5 -0.1(4) . . . . ?
N7 N6 C8 C7 -179.4(3) . . . . ?
N7 C9 C10 N8 -8.2(5) . . . . ?
N7 C9 C10 C11 166.7(4) . . . . ?
N8 Co4 N7 N6 -178.1(3) . . . . ?
N8 Co4 N7 C9 -18.7(2) . . . . ?
N8 Co4 N9 C15 -25.6(4) . . . . ?
N8 Co4 N9 C19 154.8(3) . . . . ?
N8 Co4 N10 N11 111.3(3) . . . . ?
N8 Co4 N10 C20 -72.4(4) . . . . ?
N8 C10 C11 C12 1.0(7) . . . . ?
N9 Co4 N7 N6 -96.5(3) . . . . ?
N9 Co4 N7 C9 62.9(3) . . . . ?
N9 Co4 N8 C10 -104.8(3) . . . . ?
N9 Co4 N8 C14 73.5(4) . . . . ?
N9 Co4 N10 N11 177.1(3) . . . . ?
N9 Co4 N10 C20 -6.6(3) . . . . ?
N9 C15 C16 C17 -2.7(9) . . . . ?
N9 C19 C20 N10 -2.8(6) . . . . ?
N9 C19 C20 N12 -178.8(4) . . . . ?
N10 Co4 N7 N6 -25.5(3) . . . . ?
N10 Co4 N7 C9 133.9(3) . . . . ?
N10 Co4 N8 C10 -42.8(4) . . . . ?
N10 Co4 N8 C14 135.4(3) . . . . ?
N10 Co4 N9 C15 -175.5(4) . . . . ?
N10 Co4 N9 C19 4.9(3) . . . . ?
N10 N11 C21 N12 1.4(4) . . . . ?
N10 N11 C21 C22 -179.0(3) . . . . ?
N11 Co3 O3 Co3 32.2(8) . . . 3_565 ?
N11 Co3 O3 Co3 -67.4(7) . . . 2_665 ?
N11 Co3 O3 C31 162.4(8) . . . . ?
N11 Co3 O4 Co3 -176.33(9) . . . 2_665 ?
N11 Co3 O4 Co5 84.59(10) . . . . ?
N11 Co3 O4 C32 -45.2(2) . . . . ?
N11 Co3 N6 N7 57.9(2) . . . . ?
N11 Co3 N6 C8 -133.1(3) . . . . ?
N11 N10 C20 N12 1.4(4) . . . . ?
N11 N10 C20 C19 -175.2(3) . . . . ?
N11 C21 C22 N13 -3.7(6) . . . . ?
N11 C21 C22 N15 178.2(3) . . . . ?
N12 Co1 O1 Co2 -52.2(5) 4_666 . . . ?
N12 Co1 O1 C29 129.2(6) 4_666 . . . ?
N12 Co1 O2 Co2 158.35(14) 4_666 . . . ?
N12 Co1 O2 C30 -18.2(7) 4_666 . . . ?
N12 C21 C22 N13 175.9(3) . . . . ?
N12 C21 C22 N15 -2.2(4) . . . . ?
N13 Co5 O4 Co3 -30.3(8) 3_565 . . 2_665 ?
N13 Co5 O4 Co3 87.00(9) 2_665 . . 2_665 ?
N13 Co5 O4 Co3 177.08(9) . . . 2_665 ?
N13 Co5 O4 Co3 68.7(8) 3_565 . . . ?
N13 Co5 O4 Co3 -173.97(9) 2_665 . . . ?
N13 Co5 O4 Co3 -83.89(9) . . . . ?
N13 Co5 O4 C32 44.1(2) . . . . ?
N13 Co5 O4 C32 -163.4(7) 3_565 . . . ?
N13 Co5 O4 C32 -46.0(2) 2_665 . . . ?
N13 Co5 N13 N14 -54.75(16) 2_665 . . . ?
N13 Co5 N13 N14 35.04(18) 3_565 . . . ?
N13 Co5 N13 C22 -122.2(3) 3_565 . . . ?
N13 Co5 N13 C22 148.1(3) 2_665 . . . ?
N13 N14 C23 N15 -1.5(4) . . . . ?
N13 N14 C23 C24 172.2(3) . . . . ?
N14 Co6 N14 N13 -56.8(2) 3_565 . . . ?
N14 Co6 N14 N13 29.3(2) 2_665 . . . ?
N14 Co6 N14 C23 128.4(3) 3_565 . . . ?
N14 Co6 N14 C23 -145.5(3) 2_665 . . . ?
N14 Co6 N16 C24 47.3(4) 2_665 . . . ?
N14 Co6 N16 C24 -85.1(3) 3_565 . . . ?
N14 Co6 N16 C24 -7.2(2) . . . . ?
N14 Co6 N16 C28 -133.2(3) 2_665 . . . ?
N14 Co6 N16 C28 94.4(3) 3_565 . . . ?
N14 Co6 N16 C28 172.3(4) . . . . ?
N14 N13 C22 N15 0.0(3) . . . . ?
N14 N13 C22 C21 -178.1(3) . . . . ?
N14 C23 C24 N16 4.8(5) . . . . ?
N14 C23 C24 C25 -169.8(4) . . . . ?
N15 Co1 O1 Co2 102.47(15) 4_666 . . . ?
N15 Co1 O1 C29 -76.1(6) 4_666 . . . ?
N15 Co1 O2 Co2 -125.29(13) 4_666 . . . ?
N15 Co1 O2 C30 58.1(7) 4_666 . . . ?
N15 C23 C24 N16 177.3(3) . . . . ?
N15 C23 C24 C25 2.8(6) . . . . ?
N16 Co6 N14 N13 101.1(3) 2_665 . . . ?
N16 Co6 N14 N13 -109.1(3) 3_565 . . . ?
N16 Co6 N14 N13 -175.2(3) . . . . ?
N16 Co6 N14 C23 10.0(2) . . . . ?
N16 Co6 N14 C23 76.1(3) 3_565 . . . ?
N16 Co6 N14 C23 -73.7(3) 2_665 . . . ?
N16 Co6 N16 C24 -159.5(3) 3_565 . . . ?
N16 Co6 N16 C24 109.7(3) 2_665 . . . ?
N16 Co6 N16 C28 20.0(3) 3_565 . . . ?
N16 Co6 N16 C28 -70.8(3) 2_665 . . . ?
N16 C24 C25 C26 -0.1(6) . . . . ?
C1 N1 C5 C4 0.0(6) . . . . ?
C1 N1 C5 C6 176.2(4) . . . . ?
C1 C2 C3 C4 -0.6(11) . . . . ?
C2 C3 C4 C5 -0.6(10) . . . . ?
C3 C4 C5 N1 1.0(8) . . . . ?
C3 C4 C5 C6 -174.8(5) . . . . ?
C4 C5 C6 N2 167.7(4) . . . . ?
C4 C5 C6 N4 -7.2(7) . . . . ?
C5 N1 C1 C2 -1.3(8) . . . . ?
C6 N2 N3 Co3 170.8(2) . . . 3_565 ?
C6 N2 N3 C7 -1.3(3) . . . . ?
C6 N4 C7 N3 0.6(4) . . . . ?
C6 N4 C7 C8 179.1(3) . . . . ?
C7 N4 C6 N2 -1.5(4) . . . . ?
C7 N4 C6 C5 173.7(4) . . . . ?
C8 N5 C9 N7 -1.4(4) . . . . ?
C8 N5 C9 C10 173.7(4) . . . . ?
C8 N6 N7 Co4 159.9(2) . . . . ?
C8 N6 N7 C9 -0.7(3) . . . . ?
C9 N5 C8 N6 0.9(4) . . . . ?
C9 N5 C8 C7 -179.7(3) . . . . ?
C9 C10 C11 C12 -173.3(4) . . . . ?
C10 N8 C14 C13 0.5(6) . . . . ?
C10 C11 C12 C13 -0.5(8) . . . . ?
C11 C12 C13 C14 0.0(8) . . . . ?
C12 C13 C14 N8 0.0(8) . . . . ?
C14 N8 C10 C9 173.8(4) . . . . ?
C14 N8 C10 C11 -1.1(6) . . . . ?
C15 N9 C19 C18 0.4(7) . . . . ?
C15 N9 C19 C20 177.6(4) . . . . ?
C15 C16 C17 C18 1.6(10) . . . . ?
C16 C17 C18 C19 0.3(10) . . . . ?
C17 C18 C19 N9 -1.3(9) . . . . ?
C17 C18 C19 C20 -178.3(5) . . . . ?
C18 C19 C20 N10 174.4(5) . . . . ?
C18 C19 C20 N12 -1.6(8) . . . . ?
C19 N9 C15 C16 1.6(7) . . . . ?
C20 N10 N11 Co3 159.5(2) . . . . ?
C20 N10 N11 C21 -1.7(4) . . . . ?
C20 N12 C21 N11 -0.6(4) . . . . ?
C20 N12 C21 C22 179.8(3) . . . . ?
C21 N12 C20 N10 -0.6(4) . . . . ?
C21 N12 C20 C19 175.6(4) . . . . ?
C22 N13 N14 Co6 -174.3(2) . . . . ?
C22 N13 N14 C23 0.9(3) . . . . ?
C22 N15 C23 N14 1.4(4) . . . . ?
C22 N15 C23 C24 -171.5(3) . . . . ?
C23 N15 C22 N13 -0.8(4) . . . . ?
C23 N15 C22 C21 177.6(3) . . . . ?
C23 C24 C25 C26 174.0(4) . . . . ?
C24 N16 C28 C27 1.5(6) . . . . ?
C24 C25 C26 C27 1.3(7) . . . . ?
C25 C26 C27 C28 -1.2(8) . . . . ?
C26 C27 C28 N16 -0.3(8) . . . . ?
C28 N16 C24 C23 -175.9(3) . . . . ?
C28 N16 C24 C25 -1.3(6) . . . . ?

# SQUEEZE RESULTS (APPEND TO CIF)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed Material
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 -0.001 0.000 -0.010 3185 431 ' '
_platon_squeeze_details          
;
;
