# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_1
_database_code_depnum_ccdc_archive 'CCDC 1023746'
_audit_update_record             
;
2014-09-11 deposited with the CCDC.
2015-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C143 H111 Cl9 Co4 N24 O31 P4'
_chemical_formula_weight         3340.21

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   P-1

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

_cell_length_a                   14.1110(5)
_cell_length_b                   15.3337(5)
_cell_length_c                   18.7087(6)
_cell_angle_alpha                78.679(3)
_cell_angle_beta                 84.134(2)
_cell_angle_gamma                71.745(3)
_cell_volume                     3765.9(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    8523
_cell_measurement_theta_min      0.68984
_cell_measurement_theta_max      1.00000

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1706
_exptl_absorpt_coefficient_mu    5.942
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3828
_exptl_absorpt_correction_T_max  0.7554
_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_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean 8.2417
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            24009
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_unetlI/netI    0.0778
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.41
_diffrn_reflns_theta_max         66.03
_reflns_number_total             12690
_reflns_number_gt                9019
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1309P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12690
_refine_ls_number_parameters     993
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0974
_refine_ls_R_factor_gt           0.0700
_refine_ls_wR_factor_ref         0.2077
_refine_ls_wR_factor_gt          0.1851
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_restrained_S_all      1.025
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co -0.07201(5) 0.73256(5) 0.29486(4) 0.0343(2) Uani 1 1 d . . .
Co2 Co 0.56505(5) 0.28228(5) 0.84648(4) 0.0344(2) Uani 1 1 d . . .
P1 P -0.08335(9) 0.90361(8) 0.38784(7) 0.0361(3) Uani 1 1 d . . .
P2 P -0.31016(9) 0.11688(8) -0.01881(6) 0.0359(3) Uani 1 1 d . . .
C1 C 0.4360(3) 0.4210(3) 0.7276(3) 0.0397(11) Uani 1 1 d . . .
H1A H 0.3842 0.4035 0.7576 0.048 Uiso 1 1 calc R . .
C2 C 0.4095(4) 0.4876(4) 0.6673(3) 0.0419(11) Uani 1 1 d . . .
H2A H 0.3411 0.5159 0.6566 0.050 Uiso 1 1 calc R . .
C3 C 0.4839(3) 0.5140(3) 0.6212(2) 0.0345(10) Uani 1 1 d . . .
C4 C 0.5826(3) 0.4693(3) 0.6407(2) 0.0354(10) Uani 1 1 d . . .
H4A H 0.6360 0.4841 0.6109 0.042 Uiso 1 1 calc R . .
C5 C 0.6023(4) 0.4036(3) 0.7034(2) 0.0373(10) Uani 1 1 d . . .
H5A H 0.6699 0.3748 0.7161 0.045 Uiso 1 1 calc R . .
C6 C 0.4604(3) 0.5875(3) 0.5556(2) 0.0356(10) Uani 1 1 d . . .
C7 C 0.3630(3) 0.6341(3) 0.5356(3) 0.0382(10) Uani 1 1 d . . .
H7A H 0.3089 0.6176 0.5632 0.046 Uiso 1 1 calc R . .
C8 C 0.3449(3) 0.7050(3) 0.4752(2) 0.0360(10) Uani 1 1 d . . .
C9 C 0.4273(3) 0.7243(3) 0.4357(2) 0.0343(10) Uani 1 1 d . . .
H9A H 0.4182 0.7722 0.3940 0.041 Uiso 1 1 calc R . .
C10 C 0.5229(3) 0.6731(3) 0.4577(2) 0.0335(10) Uani 1 1 d . . .
C11 C 0.6161(3) 0.6870(3) 0.4186(2) 0.0341(10) Uani 1 1 d . . .
C12 C 0.6157(4) 0.7507(4) 0.3542(3) 0.0445(12) Uani 1 1 d . . .
H12A H 0.5544 0.7894 0.3338 0.053 Uiso 1 1 calc R . .
C13 C 0.7053(4) 0.7568(4) 0.3206(3) 0.0444(12) Uani 1 1 d . . .
H13A H 0.7037 0.7999 0.2763 0.053 Uiso 1 1 calc R . .
C14 C 0.7942(3) 0.6455(4) 0.4077(3) 0.0405(11) Uani 1 1 d . . .
H14A H 0.8566 0.6079 0.4270 0.049 Uiso 1 1 calc R . .
C15 C 0.7084(4) 0.6343(3) 0.4450(3) 0.0406(11) Uani 1 1 d . . .
H15A H 0.7126 0.5904 0.4890 0.049 Uiso 1 1 calc R . .
C16 C 0.2408(3) 0.7563(3) 0.4540(2) 0.0355(10) Uani 1 1 d . . .
C17 C 0.2173(3) 0.7863(3) 0.3812(3) 0.0377(10) Uani 1 1 d . . .
H17A H 0.2687 0.7747 0.3442 0.045 Uiso 1 1 calc R . .
C18 C 0.1192(3) 0.8334(3) 0.3620(3) 0.0364(10) Uani 1 1 d . . .
H18A H 0.1042 0.8544 0.3120 0.044 Uiso 1 1 calc R . .
C19 C 0.0434(3) 0.8496(3) 0.4154(2) 0.0347(10) Uani 1 1 d . . .
C20 C 0.0663(3) 0.8191(3) 0.4887(2) 0.0351(10) Uani 1 1 d . . .
H20A H 0.0146 0.8296 0.5257 0.042 Uiso 1 1 calc R . .
C21 C 0.1640(3) 0.7736(3) 0.5079(3) 0.0376(10) Uani 1 1 d . . .
H21A H 0.1791 0.7540 0.5579 0.045 Uiso 1 1 calc R . .
C22 C -0.0893(4) 1.0172(4) 0.3369(3) 0.0456(12) Uani 1 1 d . . .
C23 C -0.1485(6) 1.0520(5) 0.2770(4) 0.082(2) Uani 1 1 d . . .
H23A H -0.1848 1.0155 0.2633 0.099 Uiso 1 1 calc R . .
C24 C -0.1552(7) 1.1397(6) 0.2367(5) 0.104(3) Uani 1 1 d . . .
H24A H -0.1940 1.1626 0.1946 0.124 Uiso 1 1 calc R . .
C25 C -0.1041(6) 1.1942(5) 0.2586(4) 0.086(2) Uani 1 1 d . . .
H25A H -0.1134 1.2566 0.2343 0.103 Uiso 1 1 calc R . .
C26 C -0.0417(5) 1.1580(4) 0.3143(3) 0.0596(15) Uani 1 1 d . . .
H26A H -0.0045 1.1940 0.3272 0.072 Uiso 1 1 calc R . .
C27 C -0.0315(4) 1.0692(4) 0.3525(3) 0.0451(12) Uani 1 1 d . . .
H27A H 0.0154 1.0433 0.3898 0.054 Uiso 1 1 calc R . .
C28 C -0.1602(3) 0.9150(3) 0.4699(3) 0.0395(11) Uani 1 1 d . . .
C29 C -0.2011(4) 0.8434(4) 0.4994(3) 0.0535(13) Uani 1 1 d . . .
H29A H -0.1931 0.7936 0.4738 0.064 Uiso 1 1 calc R . .
C30 C -0.2538(5) 0.8450(5) 0.5667(3) 0.0666(17) Uani 1 1 d . . .
H30A H -0.2800 0.7951 0.5873 0.080 Uiso 1 1 calc R . .
C31 C -0.2684(5) 0.9175(5) 0.6037(3) 0.0625(15) Uani 1 1 d . . .
H31A H -0.3046 0.9179 0.6494 0.075 Uiso 1 1 calc R . .
C32 C -0.2306(5) 0.9890(5) 0.5741(3) 0.0613(15) Uani 1 1 d . . .
H32A H -0.2418 1.0398 0.5991 0.074 Uiso 1 1 calc R . .
C33 C -0.1762(4) 0.9888(4) 0.5083(3) 0.0504(13) Uani 1 1 d . . .
H33A H -0.1495 1.0387 0.4891 0.060 Uiso 1 1 calc R . .
C34 C -0.0997(4) 0.5764(4) 0.2308(3) 0.0437(11) Uani 1 1 d . . .
H34A H -0.1575 0.5859 0.2626 0.052 Uiso 1 1 calc R . .
C35 C -0.0837(4) 0.5121(4) 0.1853(3) 0.0438(11) Uani 1 1 d . . .
H35A H -0.1304 0.4786 0.1864 0.053 Uiso 1 1 calc R . .
C36 C 0.0001(4) 0.4957(3) 0.1378(2) 0.0366(10) Uani 1 1 d . . .
C37 C 0.0652(4) 0.5480(3) 0.1397(3) 0.0408(11) Uani 1 1 d . . .
H37A H 0.1235 0.5399 0.1083 0.049 Uiso 1 1 calc R . .
C38 C 0.0452(4) 0.6109(3) 0.1868(3) 0.0386(10) Uani 1 1 d . . .
H38A H 0.0911 0.6447 0.1874 0.046 Uiso 1 1 calc R . .
C39 C 0.0207(3) 0.4270(3) 0.0895(2) 0.0340(10) Uani 1 1 d . . .
C40 C -0.0471(4) 0.3800(3) 0.0830(2) 0.0358(10) Uani 1 1 d . . .
H40A H -0.1100 0.3937 0.1090 0.043 Uiso 1 1 calc R . .
C41 C -0.0225(3) 0.3132(3) 0.0385(2) 0.0338(10) Uani 1 1 d . . .
C42 C 0.0695(3) 0.2972(3) 0.0003(2) 0.0367(10) Uani 1 1 d . . .
H42A H 0.0887 0.2522 -0.0310 0.044 Uiso 1 1 calc R . .
C43 C 0.1331(3) 0.3473(3) 0.0084(2) 0.0354(10) Uani 1 1 d . . .
C44 C 0.2316(4) 0.3339(3) -0.0316(2) 0.0358(10) Uani 1 1 d . . .
C45 C 0.2662(4) 0.2721(4) -0.0794(3) 0.0502(13) Uani 1 1 d . . .
H45A H 0.2264 0.2359 -0.0882 0.060 Uiso 1 1 calc R . .
C46 C 0.3581(4) 0.2627(4) -0.1143(3) 0.0481(13) Uani 1 1 d . . .
H46A H 0.3804 0.2189 -0.1465 0.058 Uiso 1 1 calc R . .
C47 C 0.3853(4) 0.3701(4) -0.0584(3) 0.0478(12) Uani 1 1 d . . .
H47A H 0.4271 0.4048 -0.0501 0.057 Uiso 1 1 calc R . .
C48 C 0.2947(4) 0.3836(4) -0.0208(3) 0.0466(12) Uani 1 1 d . . .
H48A H 0.2752 0.4265 0.0122 0.056 Uiso 1 1 calc R . .
C49 C -0.0917(3) 0.2605(3) 0.0311(2) 0.0352(10) Uani 1 1 d . . .
C50 C -0.1938(4) 0.3069(4) 0.0271(3) 0.0410(11) Uani 1 1 d . . .
H50A H -0.2191 0.3702 0.0335 0.049 Uiso 1 1 calc R . .
C51 C -0.2581(4) 0.2605(4) 0.0140(3) 0.0418(11) Uani 1 1 d . . .
H51A H -0.3275 0.2923 0.0108 0.050 Uiso 1 1 calc R . .
C52 C -0.2221(3) 0.1681(3) 0.0055(2) 0.0359(10) Uani 1 1 d . . .
C53 C -0.1216(4) 0.1204(3) 0.0132(3) 0.0393(10) Uani 1 1 d . . .
H53A H -0.0971 0.0561 0.0098 0.047 Uiso 1 1 calc R . .
C54 C -0.0569(4) 0.1672(3) 0.0258(3) 0.0395(11) Uani 1 1 d . . .
H54A H 0.0121 0.1347 0.0310 0.047 Uiso 1 1 calc R . .
C55 C -0.3640(4) 0.0675(4) 0.0647(3) 0.0405(11) Uani 1 1 d . . .
C56 C -0.3060(5) 0.0200(5) 0.1232(3) 0.0657(18) Uani 1 1 d . . .
H56A H -0.2359 0.0097 0.1190 0.079 Uiso 1 1 calc R . .
C57 C -0.3501(5) -0.0130(5) 0.1884(3) 0.0694(19) Uani 1 1 d . . .
H57A H -0.3104 -0.0428 0.2294 0.083 Uiso 1 1 calc R . .
C58 C -0.4484(5) -0.0029(5) 0.1938(3) 0.0622(16) Uani 1 1 d . . .
H58A H -0.4775 -0.0274 0.2381 0.075 Uiso 1 1 calc R . .
C59 C -0.5059(5) 0.0418(6) 0.1366(4) 0.082(2) Uani 1 1 d . . .
H59A H -0.5753 0.0481 0.1406 0.098 Uiso 1 1 calc R . .
C60 C -0.4641(4) 0.0788(5) 0.0717(3) 0.0670(19) Uani 1 1 d . . .
H60A H -0.5054 0.1121 0.0321 0.080 Uiso 1 1 calc R . .
C61 C -0.2425(4) 0.0264(4) -0.0682(3) 0.0405(11) Uani 1 1 d . . .
C62 C -0.2669(4) -0.0569(4) -0.0595(3) 0.0499(13) Uani 1 1 d . . .
H62A H -0.3139 -0.0696 -0.0220 0.060 Uiso 1 1 calc R . .
C63 C -0.2231(5) -0.1208(4) -0.1050(3) 0.0591(15) Uani 1 1 d . . .
H63A H -0.2414 -0.1764 -0.0997 0.071 Uiso 1 1 calc R . .
C64 C -0.1531(5) -0.1039(5) -0.1580(3) 0.0606(15) Uani 1 1 d . . .
H64A H -0.1231 -0.1481 -0.1892 0.073 Uiso 1 1 calc R . .
C65 C -0.1256(5) -0.0224(4) -0.1665(3) 0.0569(14) Uani 1 1 d . . .
H65A H -0.0762 -0.0118 -0.2027 0.068 Uiso 1 1 calc R . .
C66 C -0.1692(4) 0.0417(4) -0.1231(3) 0.0482(12) Uani 1 1 d . . .
H66A H -0.1507 0.0973 -0.1294 0.058 Uiso 1 1 calc R . .
N1 N 0.5305(3) 0.3783(3) 0.7477(2) 0.0348(8) Uani 1 1 d . . .
N2 N 0.5394(3) 0.6057(3) 0.5174(2) 0.0348(8) Uani 1 1 d . . .
N3 N 0.7945(3) 0.7059(3) 0.3464(2) 0.0358(9) Uani 1 1 d . . .
N4 N -0.0367(3) 0.6264(3) 0.2320(2) 0.0381(9) Uani 1 1 d . . .
N5 N 0.1104(3) 0.4102(3) 0.0527(2) 0.0358(9) Uani 1 1 d . . .
N6 N 0.4183(3) 0.3120(3) -0.1053(2) 0.0372(9) Uani 1 1 d . . .
N7 N -0.0599(3) 0.8482(3) 0.1761(2) 0.0487(10) Uani 1 1 d . . .
N8 N 0.1035(3) 0.6153(3) 0.3758(2) 0.0450(10) Uani 1 1 d . . .
N9 N 0.6678(4) 0.4091(4) 0.8758(2) 0.0508(11) Uani 1 1 d . . .
N10 N 0.6240(4) 0.1544(3) 0.7664(2) 0.0472(10) Uani 1 1 d . . .
O1 O -0.1174(2) 0.8495(2) 0.34344(19) 0.0437(8) Uani 1 1 d . . .
O2 O -0.3925(2) 0.1888(2) -0.06130(16) 0.0381(7) Uani 1 1 d . . .
O3 O -0.1391(3) 0.8236(3) 0.19710(19) 0.0475(8) Uani 1 1 d . . .
O4 O -0.0577(3) 0.9050(3) 0.1207(2) 0.0739(13) Uani 1 1 d . . .
O5 O 0.0144(3) 0.8105(3) 0.21598(19) 0.0481(8) Uani 1 1 d . . .
O6 O 0.0067(2) 0.6511(2) 0.38339(18) 0.0429(8) Uani 1 1 d . . .
O7 O 0.1454(3) 0.6357(3) 0.3174(2) 0.0537(9) Uani 1 1 d . . .
O8 O 0.1475(3) 0.5618(3) 0.4280(2) 0.0671(12) Uani 1 1 d . . .
O9 O 0.5833(3) 0.3932(3) 0.88901(19) 0.0477(8) Uani 1 1 d . . .
O10 O 0.6779(4) 0.4774(3) 0.8957(3) 0.0813(15) Uani 1 1 d . . .
O11 O 0.7337(3) 0.3559(4) 0.8431(2) 0.0755(13) Uani 1 1 d . . .
O12 O 0.5392(3) 0.1798(2) 0.79374(18) 0.0453(8) Uani 1 1 d . . .
O13 O 0.6860(3) 0.1941(3) 0.7808(2) 0.0535(9) Uani 1 1 d . . .
O14 O 0.6459(4) 0.0962(3) 0.7269(2) 0.0683(11) Uani 1 1 d . . .
N1S N 0.7192(4) 0.4105(4) 0.1777(3) 0.0715(14) Uani 1 1 d . . .
N2S N 0.1458(5) 0.5875(4) 0.6364(3) 0.0757(17) Uani 1 1 d . . .
C1S C 0.2551(7) 0.3523(6) 0.2221(5) 0.094(2) Uani 1 1 d . . .
H1SA H 0.2360 0.4016 0.1778 0.112 Uiso 1 1 calc R . .
C2S C 0.5513(7) 0.3739(8) 0.1861(8) 0.131(4) Uani 1 1 d . . .
H2S1 H 0.5638 0.3082 0.1830 0.197 Uiso 1 1 calc R . .
H2S2 H 0.5100 0.4134 0.1459 0.197 Uiso 1 1 calc R . .
H2S3 H 0.5164 0.3863 0.2328 0.197 Uiso 1 1 calc R . .
C3S C 0.6468(5) 0.3946(5) 0.1810(4) 0.0724(18) Uani 1 1 d . . .
C4S C 0.0744(5) 0.5947(4) 0.6096(3) 0.0592(15) Uani 1 1 d . . .
C5S C -0.0152(5) 0.6003(5) 0.5741(4) 0.0725(18) Uani 1 1 d . . .
H5S1 H -0.0065 0.6195 0.5213 0.109 Uiso 1 1 calc R . .
H5S2 H -0.0729 0.6460 0.5930 0.109 Uiso 1 1 calc R . .
H5S3 H -0.0265 0.5390 0.5840 0.109 Uiso 1 1 calc R . .
Cl1S Cl 0.15192(16) 0.30957(15) 0.25105(11) 0.0899(6) Uani 1 1 d . . .
Cl2S Cl 0.3550(2) 0.2627(2) 0.1970(2) 0.1305(10) Uani 1 1 d . . .
Cl3S Cl 0.2803(3) 0.4032(2) 0.28873(18) 0.1449(12) Uani 1 1 d . . .
C6S C 0.5729(16) 0.0738(14) 0.4373(11) 0.179(13) Uani 0.50 1 d PD . .
H6S H 0.6424 0.0658 0.4503 0.269 Uiso 0.50 1 d PR . .
Cl4S Cl 0.5732(8) -0.0135(7) 0.3963(4) 0.198(5) Uani 0.50 1 d PD . .
Cl5S Cl 0.4950(5) 0.0900(7) 0.5120(7) 0.229(6) Uani 0.50 1 d PD . .
Cl6S Cl 0.5265(17) 0.1806(14) 0.3886(8) 0.358(14) Uani 0.50 1 d PD . .
O6S O 0.6544(11) 0.1850(10) 0.3730(7) 0.249(9) Uani 1 1 d . . .
O5S O 0.5751(15) 0.0737(16) 0.3296(11) 0.173(8) Uani 0.50 1 d P . .


_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 O6 2.057(3) . ?
Co1 O1 2.062(4) . ?
Co1 N4 2.099(4) . ?
Co1 N3 2.144(4) 1_455 ?
Co1 O3 2.171(3) . ?
Co1 O5 2.223(3) . ?
Co2 O2 2.023(3) 1_656 ?
Co2 O9 2.107(4) . ?
Co2 N1 2.119(4) . ?
Co2 N6 2.120(4) 1_556 ?
Co2 O12 2.149(4) . ?
Co2 O13 2.242(4) . ?
P1 O1 1.487(3) . ?
P1 C28 1.791(5) . ?
P1 C22 1.795(5) . ?
P1 C19 1.800(5) . ?
P2 O2 1.496(3) . ?
P2 C61 1.784(6) . ?
P2 C52 1.799(4) . ?
P2 C55 1.802(5) . ?
C1 N1 1.344(6) . ?
C1 C2 1.361(7) . ?
C1 H1A 0.9500 . ?
C2 C3 1.397(6) . ?
C2 H2A 0.9500 . ?
C3 C4 1.397(6) . ?
C3 C6 1.481(6) . ?
C4 C5 1.376(6) . ?
C4 H4A 0.9500 . ?
C5 N1 1.346(6) . ?
C5 H5A 0.9500 . ?
C6 N2 1.336(6) . ?
C6 C7 1.387(6) . ?
C7 C8 1.387(6) . ?
C7 H7A 0.9500 . ?
C8 C9 1.393(6) . ?
C8 C16 1.487(6) . ?
C9 C10 1.389(6) . ?
C9 H9A 0.9500 . ?
C10 N2 1.348(6) . ?
C10 C11 1.493(6) . ?
C11 C15 1.381(6) . ?
C11 C12 1.394(6) . ?
C12 C13 1.375(7) . ?
C12 H12A 0.9500 . ?
C13 N3 1.337(6) . ?
C13 H13A 0.9500 . ?
C14 N3 1.327(6) . ?
C14 C15 1.375(7) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 C17 1.387(6) . ?
C16 C21 1.401(7) . ?
C17 C18 1.394(7) . ?
C17 H17A 0.9500 . ?
C18 C19 1.384(7) . ?
C18 H18A 0.9500 . ?
C19 C20 1.397(6) . ?
C20 C21 1.384(6) . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C22 C23 1.385(8) . ?
C22 C27 1.391(7) . ?
C23 C24 1.388(11) . ?
C23 H23A 0.9500 . ?
C24 C25 1.398(12) . ?
C24 H24A 0.9500 . ?
C25 C26 1.351(10) . ?
C25 H25A 0.9500 . ?
C26 C27 1.379(8) . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9500 . ?
C28 C29 1.392(7) . ?
C28 C33 1.405(8) . ?
C29 C30 1.397(9) . ?
C29 H29A 0.9500 . ?
C30 C31 1.373(10) . ?
C30 H30A 0.9500 . ?
C31 C32 1.364(9) . ?
C31 H31A 0.9500 . ?
C32 C33 1.381(8) . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9500 . ?
C34 N4 1.348(6) . ?
C34 C35 1.377(8) . ?
C34 H34A 0.9500 . ?
C35 C36 1.393(7) . ?
C35 H35A 0.9500 . ?
C36 C37 1.402(6) . ?
C36 C39 1.463(7) . ?
C37 C38 1.378(7) . ?
C37 H37A 0.9500 . ?
C38 N4 1.347(6) . ?
C38 H38A 0.9500 . ?
C39 N5 1.352(6) . ?
C39 C40 1.393(6) . ?
C40 C41 1.384(7) . ?
C40 H40A 0.9500 . ?
C41 C42 1.391(7) . ?
C41 C49 1.480(6) . ?
C42 C43 1.386(6) . ?
C42 H42A 0.9500 . ?
C43 N5 1.337(6) . ?
C43 C44 1.484(7) . ?
C44 C45 1.375(8) . ?
C44 C48 1.392(6) . ?
C45 C46 1.369(7) . ?
C45 H45A 0.9500 . ?
C46 N6 1.343(6) . ?
C46 H46A 0.9500 . ?
C47 N6 1.321(7) . ?
C47 C48 1.370(7) . ?
C47 H47A 0.9500 . ?
C48 H48A 0.9500 . ?
C49 C54 1.379(7) . ?
C49 C50 1.396(7) . ?
C50 C51 1.382(7) . ?
C50 H50A 0.9500 . ?
C51 C52 1.382(7) . ?
C51 H51A 0.9500 . ?
C52 C53 1.385(7) . ?
C53 C54 1.389(6) . ?
C53 H53A 0.9500 . ?
C54 H54A 0.9500 . ?
C55 C60 1.364(7) . ?
C55 C56 1.375(7) . ?
C56 C57 1.388(8) . ?
C56 H56A 0.9500 . ?
C57 C58 1.342(9) . ?
C57 H57A 0.9500 . ?
C58 C59 1.347(9) . ?
C58 H58A 0.9500 . ?
C59 C60 1.393(8) . ?
C59 H59A 0.9500 . ?
C60 H60A 0.9500 . ?
C61 C62 1.400(7) . ?
C61 C66 1.421(7) . ?
C62 C63 1.382(9) . ?
C62 H62A 0.9500 . ?
C63 C64 1.373(9) . ?
C63 H63A 0.9500 . ?
C64 C65 1.398(9) . ?
C64 H64A 0.9500 . ?
C65 C66 1.355(8) . ?
C65 H65A 0.9500 . ?
C66 H66A 0.9500 . ?
N3 Co1 2.144(4) 1_655 ?
N6 Co2 2.120(4) 1_554 ?
N7 O4 1.221(6) . ?
N7 O5 1.264(6) . ?
N7 O3 1.289(6) . ?
N8 O7 1.221(6) . ?
N8 O8 1.227(6) . ?
N8 O6 1.308(5) . ?
N9 O11 1.228(7) . ?
N9 O10 1.231(7) . ?
N9 O9 1.280(5) . ?
N10 O14 1.216(6) . ?
N10 O12 1.228(6) . ?
N10 O13 1.287(6) . ?
O2 Co2 2.023(3) 1_454 ?
N1S C3S 1.117(8) . ?
N2S C4S 1.137(8) . ?
C1S Cl3S 1.714(10) . ?
C1S Cl2S 1.733(10) . ?
C1S Cl1S 1.772(9) . ?
C1S H1SA 1.0000 . ?
C2S C3S 1.467(11) . ?
C2S H2S1 0.9800 . ?
C2S H2S2 0.9800 . ?
C2S H2S3 0.9800 . ?
C4S C5S 1.459(10) . ?
C5S H5S1 0.9800 . ?
C5S H5S2 0.9800 . ?
C5S H5S3 0.9800 . ?
C6S Cl4S 1.666(18) . ?
C6S Cl6S 1.675(17) . ?
C6S Cl5S 1.695(18) . ?
C6S H6S 1.0000 . ?
Cl4S O5S 1.65(3) . ?
Cl4S Cl5S 2.197(18) 2_656 ?
Cl5S Cl4S 2.197(18) 2_656 ?
Cl6S O6S 1.82(3) . ?
Cl6S O5S 2.06(2) . ?

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
O6 Co1 O1 92.91(14) . . ?
O6 Co1 N4 95.50(15) . . ?
O1 Co1 N4 171.58(14) . . ?
O6 Co1 N3 89.59(13) . 1_455 ?
O1 Co1 N3 84.78(15) . 1_455 ?
N4 Co1 N3 95.72(15) . 1_455 ?
O6 Co1 O3 173.10(13) . . ?
O1 Co1 O3 86.52(14) . . ?
N4 Co1 O3 85.08(15) . . ?
N3 Co1 O3 97.20(14) 1_455 . ?
O6 Co1 O5 113.93(13) . . ?
O1 Co1 O5 85.39(14) . . ?
N4 Co1 O5 90.77(14) . . ?
N3 Co1 O5 154.91(14) 1_455 . ?
O3 Co1 O5 59.17(13) . . ?
O2 Co2 O9 93.51(14) 1_656 . ?
O2 Co2 N1 176.26(14) 1_656 . ?
O9 Co2 N1 86.28(14) . . ?
O2 Co2 N6 86.42(13) 1_656 1_556 ?
O9 Co2 N6 88.48(15) . 1_556 ?
N1 Co2 N6 97.31(14) . 1_556 ?
O2 Co2 O12 92.36(13) 1_656 . ?
O9 Co2 O12 174.05(13) . . ?
N1 Co2 O12 87.93(14) . . ?
N6 Co2 O12 90.92(15) 1_556 . ?
O2 Co2 O13 90.81(13) 1_656 . ?
O9 Co2 O13 122.68(14) . . ?
N1 Co2 O13 86.17(14) . . ?
N6 Co2 O13 148.84(15) 1_556 . ?
O12 Co2 O13 58.15(14) . . ?
O1 P1 C28 109.9(2) . . ?
O1 P1 C22 110.4(2) . . ?
C28 P1 C22 109.6(2) . . ?
O1 P1 C19 113.5(2) . . ?
C28 P1 C19 106.6(2) . . ?
C22 P1 C19 106.8(2) . . ?
O2 P2 C61 112.5(2) . . ?
O2 P2 C52 111.2(2) . . ?
C61 P2 C52 107.6(2) . . ?
O2 P2 C55 108.4(2) . . ?
C61 P2 C55 109.6(2) . . ?
C52 P2 C55 107.5(2) . . ?
N1 C1 C2 124.5(4) . . ?
N1 C1 H1A 117.7 . . ?
C2 C1 H1A 117.7 . . ?
C1 C2 C3 119.3(4) . . ?
C1 C2 H2A 120.4 . . ?
C3 C2 H2A 120.4 . . ?
C4 C3 C2 116.9(4) . . ?
C4 C3 C6 120.9(4) . . ?
C2 C3 C6 122.2(4) . . ?
C5 C4 C3 119.7(4) . . ?
C5 C4 H4A 120.1 . . ?
C3 C4 H4A 120.1 . . ?
N1 C5 C4 123.3(4) . . ?
N1 C5 H5A 118.4 . . ?
C4 C5 H5A 118.4 . . ?
N2 C6 C7 122.6(4) . . ?
N2 C6 C3 115.3(4) . . ?
C7 C6 C3 122.1(4) . . ?
C6 C7 C8 119.8(4) . . ?
C6 C7 H7A 120.1 . . ?
C8 C7 H7A 120.1 . . ?
C7 C8 C9 117.5(4) . . ?
C7 C8 C16 120.2(4) . . ?
C9 C8 C16 122.2(4) . . ?
C10 C9 C8 119.6(4) . . ?
C10 C9 H9A 120.2 . . ?
C8 C9 H9A 120.2 . . ?
N2 C10 C9 122.2(4) . . ?
N2 C10 C11 113.8(4) . . ?
C9 C10 C11 123.9(4) . . ?
C15 C11 C12 116.8(4) . . ?
C15 C11 C10 120.3(4) . . ?
C12 C11 C10 122.9(4) . . ?
C13 C12 C11 119.0(4) . . ?
C13 C12 H12A 120.5 . . ?
C11 C12 H12A 120.5 . . ?
N3 C13 C12 124.1(4) . . ?
N3 C13 H13A 118.0 . . ?
C12 C13 H13A 118.0 . . ?
N3 C14 C15 123.5(4) . . ?
N3 C14 H14A 118.2 . . ?
C15 C14 H14A 118.2 . . ?
C14 C15 C11 120.1(4) . . ?
C14 C15 H15A 119.9 . . ?
C11 C15 H15A 119.9 . . ?
C17 C16 C21 118.9(4) . . ?
C17 C16 C8 121.2(4) . . ?
C21 C16 C8 119.9(4) . . ?
C16 C17 C18 120.6(4) . . ?
C16 C17 H17A 119.7 . . ?
C18 C17 H17A 119.7 . . ?
C19 C18 C17 120.4(4) . . ?
C19 C18 H18A 119.8 . . ?
C17 C18 H18A 119.8 . . ?
C18 C19 C20 119.4(4) . . ?
C18 C19 P1 118.8(3) . . ?
C20 C19 P1 121.8(3) . . ?
C21 C20 C19 120.3(4) . . ?
C21 C20 H20A 119.9 . . ?
C19 C20 H20A 119.9 . . ?
C20 C21 C16 120.5(4) . . ?
C20 C21 H21A 119.8 . . ?
C16 C21 H21A 119.8 . . ?
C23 C22 C27 118.5(5) . . ?
C23 C22 P1 119.0(5) . . ?
C27 C22 P1 122.3(4) . . ?
C22 C23 C24 120.4(7) . . ?
C22 C23 H23A 119.8 . . ?
C24 C23 H23A 119.8 . . ?
C23 C24 C25 119.4(7) . . ?
C23 C24 H24A 120.3 . . ?
C25 C24 H24A 120.3 . . ?
C26 C25 C24 119.9(6) . . ?
C26 C25 H25A 120.0 . . ?
C24 C25 H25A 120.0 . . ?
C25 C26 C27 120.7(6) . . ?
C25 C26 H26A 119.6 . . ?
C27 C26 H26A 119.6 . . ?
C26 C27 C22 120.5(5) . . ?
C26 C27 H27A 119.8 . . ?
C22 C27 H27A 119.8 . . ?
C29 C28 C33 118.4(5) . . ?
C29 C28 P1 117.7(4) . . ?
C33 C28 P1 123.8(4) . . ?
C28 C29 C30 119.7(6) . . ?
C28 C29 H29A 120.2 . . ?
C30 C29 H29A 120.2 . . ?
C31 C30 C29 121.1(6) . . ?
C31 C30 H30A 119.4 . . ?
C29 C30 H30A 119.4 . . ?
C32 C31 C30 119.3(6) . . ?
C32 C31 H31A 120.3 . . ?
C30 C31 H31A 120.3 . . ?
C31 C32 C33 121.2(6) . . ?
C31 C32 H32A 119.4 . . ?
C33 C32 H32A 119.4 . . ?
C32 C33 C28 120.2(5) . . ?
C32 C33 H33A 119.9 . . ?
C28 C33 H33A 119.9 . . ?
N4 C34 C35 122.8(5) . . ?
N4 C34 H34A 118.6 . . ?
C35 C34 H34A 118.6 . . ?
C34 C35 C36 120.6(4) . . ?
C34 C35 H35A 119.7 . . ?
C36 C35 H35A 119.7 . . ?
C35 C36 C37 116.0(5) . . ?
C35 C36 C39 122.4(4) . . ?
C37 C36 C39 121.5(4) . . ?
C38 C37 C36 120.5(5) . . ?
C38 C37 H37A 119.8 . . ?
C36 C37 H37A 119.8 . . ?
N4 C38 C37 122.7(4) . . ?
N4 C38 H38A 118.7 . . ?
C37 C38 H38A 118.7 . . ?
N5 C39 C40 121.9(4) . . ?
N5 C39 C36 116.1(4) . . ?
C40 C39 C36 121.9(4) . . ?
C41 C40 C39 119.6(4) . . ?
C41 C40 H40A 120.2 . . ?
C39 C40 H40A 120.2 . . ?
C40 C41 C42 118.0(4) . . ?
C40 C41 C49 121.4(4) . . ?
C42 C41 C49 120.7(4) . . ?
C43 C42 C41 119.5(5) . . ?
C43 C42 H42A 120.2 . . ?
C41 C42 H42A 120.2 . . ?
N5 C43 C42 122.6(4) . . ?
N5 C43 C44 115.5(4) . . ?
C42 C43 C44 121.9(5) . . ?
C45 C44 C48 116.5(4) . . ?
C45 C44 C43 122.9(4) . . ?
C48 C44 C43 120.5(5) . . ?
C46 C45 C44 120.1(5) . . ?
C46 C45 H45A 119.9 . . ?
C44 C45 H45A 119.9 . . ?
N6 C46 C45 123.5(5) . . ?
N6 C46 H46A 118.2 . . ?
C45 C46 H46A 118.2 . . ?
N6 C47 C48 124.3(5) . . ?
N6 C47 H47A 117.8 . . ?
C48 C47 H47A 117.8 . . ?
C47 C48 C44 119.4(5) . . ?
C47 C48 H48A 120.3 . . ?
C44 C48 H48A 120.3 . . ?
C54 C49 C50 119.4(4) . . ?
C54 C49 C41 121.3(4) . . ?
C50 C49 C41 119.3(4) . . ?
C51 C50 C49 119.8(5) . . ?
C51 C50 H50A 120.1 . . ?
C49 C50 H50A 120.1 . . ?
C50 C51 C52 120.5(5) . . ?
C50 C51 H51A 119.8 . . ?
C52 C51 H51A 119.8 . . ?
C51 C52 C53 119.9(4) . . ?
C51 C52 P2 117.0(3) . . ?
C53 C52 P2 123.0(4) . . ?
C52 C53 C54 119.5(5) . . ?
C52 C53 H53A 120.3 . . ?
C54 C53 H53A 120.3 . . ?
C49 C54 C53 120.8(4) . . ?
C49 C54 H54A 119.6 . . ?
C53 C54 H54A 119.6 . . ?
C60 C55 C56 118.7(5) . . ?
C60 C55 P2 120.2(4) . . ?
C56 C55 P2 121.1(4) . . ?
C55 C56 C57 120.0(5) . . ?
C55 C56 H56A 120.0 . . ?
C57 C56 H56A 120.0 . . ?
C58 C57 C56 120.5(5) . . ?
C58 C57 H57A 119.8 . . ?
C56 C57 H57A 119.8 . . ?
C57 C58 C59 120.2(5) . . ?
C57 C58 H58A 119.9 . . ?
C59 C58 H58A 119.9 . . ?
C58 C59 C60 120.3(6) . . ?
C58 C59 H59A 119.9 . . ?
C60 C59 H59A 119.9 . . ?
C55 C60 C59 120.2(5) . . ?
C55 C60 H60A 119.9 . . ?
C59 C60 H60A 119.9 . . ?
C62 C61 C66 118.3(5) . . ?
C62 C61 P2 121.2(4) . . ?
C66 C61 P2 120.1(4) . . ?
C63 C62 C61 120.5(6) . . ?
C63 C62 H62A 119.8 . . ?
C61 C62 H62A 119.8 . . ?
C64 C63 C62 120.0(6) . . ?
C64 C63 H63A 120.0 . . ?
C62 C63 H63A 120.0 . . ?
C63 C64 C65 120.6(6) . . ?
C63 C64 H64A 119.7 . . ?
C65 C64 H64A 119.7 . . ?
C66 C65 C64 120.1(6) . . ?
C66 C65 H65A 119.9 . . ?
C64 C65 H65A 119.9 . . ?
C65 C66 C61 120.5(5) . . ?
C65 C66 H66A 119.7 . . ?
C61 C66 H66A 119.7 . . ?
C1 N1 C5 116.3(4) . . ?
C1 N1 Co2 122.2(3) . . ?
C5 N1 Co2 121.4(3) . . ?
C6 N2 C10 118.2(4) . . ?
C14 N3 C13 116.5(4) . . ?
C14 N3 Co1 123.1(3) . 1_655 ?
C13 N3 Co1 120.2(3) . 1_655 ?
C38 N4 C34 117.4(4) . . ?
C38 N4 Co1 121.4(3) . . ?
C34 N4 Co1 121.0(3) . . ?
C43 N5 C39 118.4(4) . . ?
C47 N6 C46 116.0(4) . . ?
C47 N6 Co2 123.0(3) . 1_554 ?
C46 N6 Co2 120.4(4) . 1_554 ?
O4 N7 O5 122.5(4) . . ?
O4 N7 O3 121.1(5) . . ?
O5 N7 O3 116.4(4) . . ?
O7 N8 O8 123.3(5) . . ?
O7 N8 O6 118.9(4) . . ?
O8 N8 O6 117.7(4) . . ?
O11 N9 O10 123.8(5) . . ?
O11 N9 O9 118.1(5) . . ?
O10 N9 O9 118.1(5) . . ?
O14 N10 O12 120.8(5) . . ?
O14 N10 O13 123.0(5) . . ?
O12 N10 O13 116.3(4) . . ?
P1 O1 Co1 143.6(2) . . ?
P2 O2 Co2 148.3(2) . 1_454 ?
N7 O3 Co1 93.0(3) . . ?
N7 O5 Co1 91.3(3) . . ?
N8 O6 Co1 119.2(3) . . ?
N9 O9 Co2 117.0(3) . . ?
N10 O12 Co2 95.8(3) . . ?
N10 O13 Co2 89.8(3) . . ?
Cl3S C1S Cl2S 114.1(5) . . ?
Cl3S C1S Cl1S 109.7(5) . . ?
Cl2S C1S Cl1S 109.1(5) . . ?
Cl3S C1S H1SA 107.9 . . ?
Cl2S C1S H1SA 107.9 . . ?
Cl1S C1S H1SA 107.9 . . ?
C3S C2S H2S1 109.5 . . ?
C3S C2S H2S2 109.5 . . ?
H2S1 C2S H2S2 109.5 . . ?
C3S C2S H2S3 109.5 . . ?
H2S1 C2S H2S3 109.5 . . ?
H2S2 C2S H2S3 109.5 . . ?
N1S C3S C2S 179.3(10) . . ?
N2S C4S C5S 177.5(8) . . ?
C4S C5S H5S1 109.5 . . ?
C4S C5S H5S2 109.5 . . ?
H5S1 C5S H5S2 109.5 . . ?
C4S C5S H5S3 109.5 . . ?
H5S1 C5S H5S3 109.5 . . ?
H5S2 C5S H5S3 109.5 . . ?
Cl4S C6S Cl6S 114.9(14) . . ?
Cl4S C6S Cl5S 116.7(14) . . ?
Cl6S C6S Cl5S 97.1(12) . . ?
Cl4S C6S H6S 109.3 . . ?
Cl6S C6S H6S 108.9 . . ?
Cl5S C6S H6S 109.3 . . ?
O5S Cl4S C6S 74.9(10) . . ?
O5S Cl4S Cl5S 155.2(9) . 2_656 ?
C6S Cl4S Cl5S 97.1(9) . 2_656 ?
C6S Cl5S Cl4S 141.7(8) . 2_656 ?
C6S Cl6S O6S 87.3(15) . . ?
C6S Cl6S O5S 64.4(12) . . ?
O6S Cl6S O5S 84.0(12) . . ?
Cl4S O5S Cl6S 98.5(10) . . ?

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
N1 C1 C2 C3 1.0(8) . . . . ?
C1 C2 C3 C4 -0.1(7) . . . . ?
C1 C2 C3 C6 -178.6(5) . . . . ?
C2 C3 C4 C5 -0.9(7) . . . . ?
C6 C3 C4 C5 177.7(5) . . . . ?
C3 C4 C5 N1 1.0(7) . . . . ?
C4 C3 C6 N2 0.9(7) . . . . ?
C2 C3 C6 N2 179.3(5) . . . . ?
C4 C3 C6 C7 -178.9(5) . . . . ?
C2 C3 C6 C7 -0.5(7) . . . . ?
N2 C6 C7 C8 -2.3(8) . . . . ?
C3 C6 C7 C8 177.5(5) . . . . ?
C6 C7 C8 C9 1.8(7) . . . . ?
C6 C7 C8 C16 -179.1(5) . . . . ?
C7 C8 C9 C10 -0.1(7) . . . . ?
C16 C8 C9 C10 -179.2(4) . . . . ?
C8 C9 C10 N2 -1.3(7) . . . . ?
C8 C9 C10 C11 178.8(4) . . . . ?
N2 C10 C11 C15 -1.2(6) . . . . ?
C9 C10 C11 C15 178.7(5) . . . . ?
N2 C10 C11 C12 177.5(5) . . . . ?
C9 C10 C11 C12 -2.5(7) . . . . ?
C15 C11 C12 C13 0.8(8) . . . . ?
C10 C11 C12 C13 -178.0(5) . . . . ?
C11 C12 C13 N3 -1.0(9) . . . . ?
N3 C14 C15 C11 0.6(8) . . . . ?
C12 C11 C15 C14 -0.6(7) . . . . ?
C10 C11 C15 C14 178.2(5) . . . . ?
C7 C8 C16 C17 -144.1(5) . . . . ?
C9 C8 C16 C17 35.0(7) . . . . ?
C7 C8 C16 C21 34.7(7) . . . . ?
C9 C8 C16 C21 -146.2(5) . . . . ?
C21 C16 C17 C18 0.3(7) . . . . ?
C8 C16 C17 C18 179.1(4) . . . . ?
C16 C17 C18 C19 -0.9(7) . . . . ?
C17 C18 C19 C20 0.6(7) . . . . ?
C17 C18 C19 P1 -175.9(3) . . . . ?
O1 P1 C19 C18 59.7(4) . . . . ?
C28 P1 C19 C18 -179.3(4) . . . . ?
C22 P1 C19 C18 -62.2(4) . . . . ?
O1 P1 C19 C20 -116.7(4) . . . . ?
C28 P1 C19 C20 4.4(4) . . . . ?
C22 P1 C19 C20 121.4(4) . . . . ?
C18 C19 C20 C21 0.4(7) . . . . ?
P1 C19 C20 C21 176.8(4) . . . . ?
C19 C20 C21 C16 -1.0(7) . . . . ?
C17 C16 C21 C20 0.6(7) . . . . ?
C8 C16 C21 C20 -178.2(4) . . . . ?
O1 P1 C22 C23 18.9(6) . . . . ?
C28 P1 C22 C23 -102.2(6) . . . . ?
C19 P1 C22 C23 142.7(6) . . . . ?
O1 P1 C22 C27 -156.6(4) . . . . ?
C28 P1 C22 C27 82.3(5) . . . . ?
C19 P1 C22 C27 -32.9(5) . . . . ?
C27 C22 C23 C24 -4.6(12) . . . . ?
P1 C22 C23 C24 179.7(7) . . . . ?
C22 C23 C24 C25 -2.1(15) . . . . ?
C23 C24 C25 C26 6.2(14) . . . . ?
C24 C25 C26 C27 -3.4(12) . . . . ?
C25 C26 C27 C22 -3.5(10) . . . . ?
C23 C22 C27 C26 7.4(9) . . . . ?
P1 C22 C27 C26 -177.0(5) . . . . ?
O1 P1 C28 C29 30.7(4) . . . . ?
C22 P1 C28 C29 152.1(4) . . . . ?
C19 P1 C28 C29 -92.7(4) . . . . ?
O1 P1 C28 C33 -153.6(4) . . . . ?
C22 P1 C28 C33 -32.2(5) . . . . ?
C19 P1 C28 C33 83.1(4) . . . . ?
C33 C28 C29 C30 -1.9(8) . . . . ?
P1 C28 C29 C30 174.1(5) . . . . ?
C28 C29 C30 C31 1.8(10) . . . . ?
C29 C30 C31 C32 -0.2(10) . . . . ?
C30 C31 C32 C33 -1.3(10) . . . . ?
C31 C32 C33 C28 1.1(9) . . . . ?
C29 C28 C33 C32 0.5(8) . . . . ?
P1 C28 C33 C32 -175.2(4) . . . . ?
N4 C34 C35 C36 0.1(8) . . . . ?
C34 C35 C36 C37 0.1(7) . . . . ?
C34 C35 C36 C39 179.0(4) . . . . ?
C35 C36 C37 C38 0.3(7) . . . . ?
C39 C36 C37 C38 -178.6(4) . . . . ?
C36 C37 C38 N4 -0.9(7) . . . . ?
C35 C36 C39 N5 -172.4(4) . . . . ?
C37 C36 C39 N5 6.5(6) . . . . ?
C35 C36 C39 C40 6.2(7) . . . . ?
C37 C36 C39 C40 -174.9(4) . . . . ?
N5 C39 C40 C41 0.8(6) . . . . ?
C36 C39 C40 C41 -177.7(4) . . . . ?
C39 C40 C41 C42 -1.4(6) . . . . ?
C39 C40 C41 C49 179.0(4) . . . . ?
C40 C41 C42 C43 0.5(6) . . . . ?
C49 C41 C42 C43 -179.9(4) . . . . ?
C41 C42 C43 N5 1.1(7) . . . . ?
C41 C42 C43 C44 -179.3(4) . . . . ?
N5 C43 C44 C45 -179.8(4) . . . . ?
C42 C43 C44 C45 0.6(7) . . . . ?
N5 C43 C44 C48 1.3(6) . . . . ?
C42 C43 C44 C48 -178.3(4) . . . . ?
C48 C44 C45 C46 -0.7(8) . . . . ?
C43 C44 C45 C46 -179.7(5) . . . . ?
C44 C45 C46 N6 -0.7(9) . . . . ?
N6 C47 C48 C44 0.0(9) . . . . ?
C45 C44 C48 C47 1.1(7) . . . . ?
C43 C44 C48 C47 -180.0(5) . . . . ?
C40 C41 C49 C54 -141.9(5) . . . . ?
C42 C41 C49 C54 38.5(6) . . . . ?
C40 C41 C49 C50 40.0(6) . . . . ?
C42 C41 C49 C50 -139.6(5) . . . . ?
C54 C49 C50 C51 -3.6(7) . . . . ?
C41 C49 C50 C51 174.6(4) . . . . ?
C49 C50 C51 C52 0.7(7) . . . . ?
C50 C51 C52 C53 2.7(7) . . . . ?
C50 C51 C52 P2 -175.0(4) . . . . ?
O2 P2 C52 C51 28.5(4) . . . . ?
C61 P2 C52 C51 152.1(4) . . . . ?
C55 P2 C52 C51 -90.0(4) . . . . ?
O2 P2 C52 C53 -149.1(4) . . . . ?
C61 P2 C52 C53 -25.5(5) . . . . ?
C55 P2 C52 C53 92.4(4) . . . . ?
C51 C52 C53 C54 -3.1(7) . . . . ?
P2 C52 C53 C54 174.5(4) . . . . ?
C50 C49 C54 C53 3.2(7) . . . . ?
C41 C49 C54 C53 -174.9(4) . . . . ?
C52 C53 C54 C49 0.2(7) . . . . ?
O2 P2 C55 C60 16.8(6) . . . . ?
C61 P2 C55 C60 -106.3(5) . . . . ?
C52 P2 C55 C60 137.1(5) . . . . ?
O2 P2 C55 C56 -161.4(5) . . . . ?
C61 P2 C55 C56 75.5(5) . . . . ?
C52 P2 C55 C56 -41.1(6) . . . . ?
C60 C55 C56 C57 -1.8(10) . . . . ?
P2 C55 C56 C57 176.4(6) . . . . ?
C55 C56 C57 C58 3.3(12) . . . . ?
C56 C57 C58 C59 -2.0(12) . . . . ?
C57 C58 C59 C60 -0.7(13) . . . . ?
C56 C55 C60 C59 -0.8(11) . . . . ?
P2 C55 C60 C59 -179.1(6) . . . . ?
C58 C59 C60 C55 2.1(13) . . . . ?
O2 P2 C61 C62 -94.6(4) . . . . ?
C52 P2 C61 C62 142.6(4) . . . . ?
C55 P2 C61 C62 26.0(5) . . . . ?
O2 P2 C61 C66 78.7(4) . . . . ?
C52 P2 C61 C66 -44.1(4) . . . . ?
C55 P2 C61 C66 -160.7(4) . . . . ?
C66 C61 C62 C63 -2.2(7) . . . . ?
P2 C61 C62 C63 171.2(4) . . . . ?
C61 C62 C63 C64 1.8(8) . . . . ?
C62 C63 C64 C65 -0.1(9) . . . . ?
C63 C64 C65 C66 -1.1(9) . . . . ?
C64 C65 C66 C61 0.6(8) . . . . ?
C62 C61 C66 C65 1.0(7) . . . . ?
P2 C61 C66 C65 -172.5(4) . . . . ?
C2 C1 N1 C5 -1.0(7) . . . . ?
C2 C1 N1 Co2 175.5(4) . . . . ?
C4 C5 N1 C1 -0.1(7) . . . . ?
C4 C5 N1 Co2 -176.5(4) . . . . ?
O9 Co2 N1 C1 -100.2(4) . . . . ?
N6 Co2 N1 C1 -12.2(4) 1_556 . . . ?
O12 Co2 N1 C1 78.4(4) . . . . ?
O13 Co2 N1 C1 136.6(4) . . . . ?
O9 Co2 N1 C5 76.0(4) . . . . ?
N6 Co2 N1 C5 164.0(4) 1_556 . . . ?
O12 Co2 N1 C5 -105.4(4) . . . . ?
O13 Co2 N1 C5 -47.1(4) . . . . ?
C7 C6 N2 C10 0.9(7) . . . . ?
C3 C6 N2 C10 -178.8(4) . . . . ?
C9 C10 N2 C6 0.9(7) . . . . ?
C11 C10 N2 C6 -179.2(4) . . . . ?
C15 C14 N3 C13 -0.7(7) . . . . ?
C15 C14 N3 Co1 173.5(4) . . . 1_655 ?
C12 C13 N3 C14 1.0(8) . . . . ?
C12 C13 N3 Co1 -173.4(4) . . . 1_655 ?
C37 C38 N4 C34 1.0(7) . . . . ?
C37 C38 N4 Co1 -173.5(4) . . . . ?
C35 C34 N4 C38 -0.7(7) . . . . ?
C35 C34 N4 Co1 173.9(4) . . . . ?
O6 Co1 N4 C38 -89.7(4) . . . . ?
N3 Co1 N4 C38 -179.8(4) 1_455 . . . ?
O3 Co1 N4 C38 83.4(4) . . . . ?
O5 Co1 N4 C38 24.5(4) . . . . ?
O6 Co1 N4 C34 96.0(4) . . . . ?
N3 Co1 N4 C34 5.8(4) 1_455 . . . ?
O3 Co1 N4 C34 -90.9(4) . . . . ?
O5 Co1 N4 C34 -149.9(4) . . . . ?
C42 C43 N5 C39 -1.8(6) . . . . ?
C44 C43 N5 C39 178.7(4) . . . . ?
C40 C39 N5 C43 0.8(6) . . . . ?
C36 C39 N5 C43 179.3(4) . . . . ?
C48 C47 N6 C46 -1.5(8) . . . . ?
C48 C47 N6 Co2 -173.2(4) . . . 1_554 ?
C45 C46 N6 C47 1.8(8) . . . . ?
C45 C46 N6 Co2 173.7(5) . . . 1_554 ?
C28 P1 O1 Co1 -122.9(4) . . . . ?
C22 P1 O1 Co1 116.2(4) . . . . ?
C19 P1 O1 Co1 -3.7(4) . . . . ?
O6 Co1 O1 P1 42.3(4) . . . . ?
N3 Co1 O1 P1 131.6(4) 1_455 . . . ?
O3 Co1 O1 P1 -130.8(4) . . . . ?
O5 Co1 O1 P1 -71.5(4) . . . . ?
C61 P2 O2 Co2 -55.4(5) . . . 1_454 ?
C52 P2 O2 Co2 65.3(5) . . . 1_454 ?
C55 P2 O2 Co2 -176.7(4) . . . 1_454 ?
O4 N7 O3 Co1 -177.9(5) . . . . ?
O5 N7 O3 Co1 1.9(4) . . . . ?
O1 Co1 O3 N7 85.6(3) . . . . ?
N4 Co1 O3 N7 -95.0(3) . . . . ?
N3 Co1 O3 N7 169.8(3) 1_455 . . . ?
O5 Co1 O3 N7 -1.1(3) . . . . ?
O4 N7 O5 Co1 178.0(5) . . . . ?
O3 N7 O5 Co1 -1.9(4) . . . . ?
O6 Co1 O5 N7 -178.7(3) . . . . ?
O1 Co1 O5 N7 -87.5(3) . . . . ?
N4 Co1 O5 N7 85.0(3) . . . . ?
N3 Co1 O5 N7 -20.3(5) 1_455 . . . ?
O3 Co1 O5 N7 1.2(3) . . . . ?
O7 N8 O6 Co1 4.4(5) . . . . ?
O8 N8 O6 Co1 -175.0(4) . . . . ?
O1 Co1 O6 N8 -116.8(3) . . . . ?
N4 Co1 O6 N8 62.8(3) . . . . ?
N3 Co1 O6 N8 158.5(3) 1_455 . . . ?
O5 Co1 O6 N8 -30.5(4) . . . . ?
O11 N9 O9 Co2 -4.0(6) . . . . ?
O10 N9 O9 Co2 175.1(4) . . . . ?
O2 Co2 O9 N9 93.3(3) 1_656 . . . ?
N1 Co2 O9 N9 -83.0(3) . . . . ?
N6 Co2 O9 N9 179.6(3) 1_556 . . . ?
O13 Co2 O9 N9 0.1(4) . . . . ?
O14 N10 O12 Co2 -177.2(4) . . . . ?
O13 N10 O12 Co2 1.5(4) . . . . ?
O2 Co2 O12 N10 -90.4(3) 1_656 . . . ?
N1 Co2 O12 N10 85.9(3) . . . . ?
N6 Co2 O12 N10 -176.8(3) 1_556 . . . ?
O13 Co2 O12 N10 -0.9(2) . . . . ?
O14 N10 O13 Co2 177.3(4) . . . . ?
O12 N10 O13 Co2 -1.4(4) . . . . ?
O2 Co2 O13 N10 93.1(2) 1_656 . . . ?
O9 Co2 O13 N10 -172.2(2) . . . . ?
N1 Co2 O13 N10 -89.1(3) . . . . ?
N6 Co2 O13 N10 8.7(4) 1_556 . . . ?
O12 Co2 O13 N10 0.9(2) . . . . ?
Cl6S C6S Cl4S O5S 25.0(16) . . . . ?
Cl5S C6S Cl4S O5S 137.6(16) . . . . ?
Cl6S C6S Cl4S Cl5S -131.2(15) . . . 2_656 ?
Cl5S C6S Cl4S Cl5S -18.5(14) . . . 2_656 ?
Cl4S C6S Cl5S Cl4S 31(2) . . . 2_656 ?
Cl6S C6S Cl5S Cl4S 153.1(9) . . . 2_656 ?
Cl4S C6S Cl6S O6S -105.8(13) . . . . ?
Cl5S C6S Cl6S O6S 130.4(11) . . . . ?
Cl4S C6S Cl6S O5S -21.2(13) . . . . ?
Cl5S C6S Cl6S O5S -145.0(14) . . . . ?
C6S Cl4S O5S Cl6S -18.4(10) . . . . ?
Cl5S Cl4S O5S Cl6S 55.4(19) 2_656 . . . ?
C6S Cl6S O5S Cl4S 19.6(12) . . . . ?
O6S Cl6S O5S Cl4S 109.5(11) . . . . ?

_diffrn_measured_fraction_theta_max 0.965
_diffrn_reflns_theta_full        66.03
_diffrn_measured_fraction_theta_full 0.965
_refine_diff_density_max         0.925
_refine_diff_density_min         -0.773
_refine_diff_density_rms         0.098
####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1023747'
_audit_update_record             
;
2014-09-11 deposited with the CCDC.
2015-02-04 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C40 H29 Cl3 Co N5 O7 P'
_chemical_formula_weight         887.93

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Orthorhombic
_symmetry_space_group_name_H-M   Pna2(1)

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y+1/2, z'
'-x+1/2, y+1/2, z+1/2'

_cell_length_a                   23.8620(6)
_cell_length_b                   8.59300(10)
_cell_length_c                   19.0584(5)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     3907.85(15)
_cell_formula_units_Z            4
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    2587
_cell_measurement_theta_min      3.6930
_cell_measurement_theta_max      62.1260

_exptl_crystal_description       Block
_exptl_crystal_colour            Pink
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1812
_exptl_absorpt_coefficient_mu    6.204
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.3701
_exptl_absorpt_correction_T_max  0.7467
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     1.54178
_diffrn_radiation_type           CuK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_detector_area_resol_mean 16.0855
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            6609
_diffrn_reflns_av_R_equivalents  0.0513
_diffrn_reflns_av_unetlI/netI    0.0871
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.70
_diffrn_reflns_theta_max         62.36
_reflns_number_total             4484
_reflns_number_gt                3480
_reflns_threshold_expression     >2sigma(I)

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

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

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0954P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.003(7)
_refine_ls_number_reflns         4484
_refine_ls_number_parameters     514
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0812
_refine_ls_R_factor_gt           0.0611
_refine_ls_wR_factor_ref         0.1588
_refine_ls_wR_factor_gt          0.1472
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_restrained_S_all      1.027
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.34376(5) -0.30267(11) 0.48375(7) 0.0266(3) Uani 1 1 d . . .
P1 P 0.59872(8) 1.4734(2) 0.13466(11) 0.0281(4) Uani 1 1 d . . .
N1 N 0.4030(2) -0.1198(6) 0.4823(4) 0.0296(14) Uani 1 1 d . . .
N2 N 0.5847(2) 0.1568(5) 0.4724(3) 0.0243(13) Uani 1 1 d . . .
N3 N 0.7797(2) -0.0264(6) 0.4822(4) 0.0311(14) Uani 1 1 d . . .
N4 N 0.2589(3) -0.0998(7) 0.5108(4) 0.0355(17) Uani 1 1 d . . .
N5 N 0.3779(3) -0.3889(9) 0.3563(4) 0.0428(18) Uani 1 1 d . . .
C1 C 0.3908(3) 0.0277(9) 0.4647(6) 0.046(2) Uani 1 1 d . . .
H1A H 0.3530 0.0537 0.4545 0.055 Uiso 1 1 calc R . .
C2 C 0.4314(3) 0.1442(8) 0.4606(5) 0.035(2) Uani 1 1 d . . .
H2B H 0.4208 0.2484 0.4505 0.042 Uiso 1 1 calc R . .
C3 C 0.4864(3) 0.1071(7) 0.4715(4) 0.0219(15) Uani 1 1 d . . .
C4 C 0.4992(3) -0.0462(7) 0.4907(4) 0.0297(16) Uani 1 1 d . . .
H4A H 0.5367 -0.0752 0.5015 0.036 Uiso 1 1 calc R . .
C5 C 0.4571(3) -0.1529(7) 0.4937(5) 0.0324(19) Uani 1 1 d . . .
H5A H 0.4666 -0.2575 0.5044 0.039 Uiso 1 1 calc R . .
C6 C 0.5344(3) 0.2184(7) 0.4612(4) 0.0223(16) Uani 1 1 d . . .
C7 C 0.5278(3) 0.3703(7) 0.4371(4) 0.0236(15) Uani 1 1 d . . .
H7A H 0.4914 0.4121 0.4305 0.028 Uiso 1 1 calc R . .
C8 C 0.5743(3) 0.4598(7) 0.4229(4) 0.0251(16) Uani 1 1 d . . .
C9 C 0.6264(3) 0.3934(8) 0.4313(4) 0.0250(16) Uani 1 1 d . . .
H9A H 0.6593 0.4496 0.4192 0.030 Uiso 1 1 calc R . .
C10 C 0.6302(3) 0.2419(8) 0.4580(4) 0.0242(16) Uani 1 1 d . . .
C11 C 0.6844(3) 0.1612(7) 0.4686(4) 0.0260(17) Uani 1 1 d . . .
C12 C 0.7305(3) 0.1819(8) 0.4269(5) 0.0320(18) Uani 1 1 d . . .
H12A H 0.7304 0.2620 0.3925 0.038 Uiso 1 1 calc R . .
C13 C 0.7765(3) 0.0895(8) 0.4339(5) 0.037(2) Uani 1 1 d . . .
H13A H 0.8077 0.1069 0.4039 0.044 Uiso 1 1 calc R . .
C14 C 0.7362(3) -0.0400(8) 0.5251(5) 0.0298(17) Uani 1 1 d . . .
H14A H 0.7384 -0.1140 0.5621 0.036 Uiso 1 1 calc R . .
C15 C 0.6883(3) 0.0463(8) 0.5193(4) 0.0303(17) Uani 1 1 d . . .
H15A H 0.6577 0.0275 0.5501 0.036 Uiso 1 1 calc R . .
C16 C 0.5715(3) 0.6217(7) 0.3934(4) 0.0243(16) Uani 1 1 d . . .
C17 C 0.5251(3) 0.6715(7) 0.3565(4) 0.0250(17) Uani 1 1 d . . .
H17A H 0.4927 0.6074 0.3538 0.030 Uiso 1 1 calc R . .
C18 C 0.5257(3) 0.8179(7) 0.3227(4) 0.0265(17) Uani 1 1 d . . .
H18A H 0.4936 0.8523 0.2978 0.032 Uiso 1 1 calc R . .
C19 C 0.5721(3) 0.9100(7) 0.3256(4) 0.0250(17) Uani 1 1 d . . .
C20 C 0.6174(3) 0.8635(8) 0.3647(5) 0.0316(18) Uani 1 1 d . . .
H20A H 0.6497 0.9280 0.3670 0.038 Uiso 1 1 calc R . .
C21 C 0.6165(3) 0.7224(7) 0.4010(4) 0.0258(17) Uani 1 1 d . . .
H21A H 0.6468 0.6953 0.4310 0.031 Uiso 1 1 calc R . .
C22 C 0.5765(3) 1.0545(8) 0.2817(4) 0.0297(18) Uani 1 1 d . . .
C23 C 0.5355(3) 1.1653(7) 0.2798(4) 0.0274(17) Uani 1 1 d . . .
H23A H 0.5029 1.1527 0.3079 0.033 Uiso 1 1 calc R . .
C24 C 0.5407(3) 1.2974(8) 0.2372(4) 0.0307(17) Uani 1 1 d . . .
H24A H 0.5125 1.3753 0.2377 0.037 Uiso 1 1 calc R . .
C25 C 0.5883(3) 1.3143(8) 0.1931(4) 0.0316(18) Uani 1 1 d . . .
C26 C 0.6279(3) 1.1965(8) 0.1955(5) 0.0330(18) Uani 1 1 d . . .
H26A H 0.6595 1.2033 0.1653 0.040 Uiso 1 1 calc R . .
C27 C 0.6238(3) 1.0709(8) 0.2393(5) 0.0343(19) Uani 1 1 d . . .
H27A H 0.6529 0.9954 0.2408 0.041 Uiso 1 1 calc R . .
C28 C 0.5348(3) 1.5870(9) 0.1329(4) 0.0350(18) Uani 1 1 d . . .
C29 C 0.4847(4) 1.5162(10) 0.1164(5) 0.042(2) Uani 1 1 d . . .
H29A H 0.4846 1.4099 0.1026 0.050 Uiso 1 1 calc R . .
C30 C 0.4349(4) 1.5961(11) 0.1193(5) 0.052(3) Uani 1 1 d . . .
H30A H 0.4005 1.5447 0.1095 0.063 Uiso 1 1 calc R . .
C31 C 0.4355(5) 1.7543(12) 0.1369(5) 0.056(3) Uani 1 1 d . . .
H31A H 0.4014 1.8112 0.1387 0.067 Uiso 1 1 calc R . .
C32 C 0.4851(4) 1.8270(11) 0.1514(5) 0.054(3) Uani 1 1 d . . .
H32A H 0.4852 1.9348 0.1624 0.065 Uiso 1 1 calc R . .
C33 C 0.5347(4) 1.7469(9) 0.1501(5) 0.045(2) Uani 1 1 d . . .
H33A H 0.5688 1.7986 0.1608 0.054 Uiso 1 1 calc R . .
C34 C 0.6554(4) 1.5896(8) 0.1705(4) 0.0326(18) Uani 1 1 d . . .
C35 C 0.6814(4) 1.6956(8) 0.1280(5) 0.041(2) Uani 1 1 d . . .
H35A H 0.6680 1.7134 0.0818 0.049 Uiso 1 1 calc R . .
C36 C 0.7282(4) 1.7781(9) 0.1531(5) 0.050(3) Uani 1 1 d . . .
H36A H 0.7479 1.8480 0.1234 0.060 Uiso 1 1 calc R . .
C37 C 0.7454(4) 1.7552(10) 0.2231(6) 0.052(3) Uani 1 1 d . . .
H37A H 0.7762 1.8128 0.2412 0.063 Uiso 1 1 calc R . .
C38 C 0.7184(4) 1.6515(11) 0.2649(6) 0.054(3) Uani 1 1 d . . .
H38A H 0.7313 1.6348 0.3114 0.065 Uiso 1 1 calc R . .
C39 C 0.6719(4) 1.5689(9) 0.2403(5) 0.040(2) Uani 1 1 d . . .
H39A H 0.6520 1.5001 0.2703 0.049 Uiso 1 1 calc R . .
O1 O 0.6136(2) 1.4194(6) 0.0633(3) 0.0334(13) Uani 1 1 d . . .
O2 O 0.3948(2) -0.4451(7) 0.4126(3) 0.0372(13) Uani 1 1 d . . .
O3 O 0.3425(3) -0.2749(9) 0.3636(5) 0.074(2) Uani 1 1 d . . .
O4 O 0.3944(3) -0.4322(11) 0.2992(4) 0.086(3) Uani 1 1 d . . .
O5 O 0.2951(2) -0.1550(6) 0.5525(4) 0.0416(15) Uani 1 1 d . . .
O6 O 0.2185(3) -0.0287(8) 0.5360(5) 0.075(2) Uani 1 1 d . . .
O7 O 0.2629(3) -0.1215(9) 0.4480(4) 0.070(2) Uani 1 1 d . . .
C1S C 0.1443(5) 0.7438(14) 0.7279(8) 0.076(3) Uani 1 1 d . . .
H1SA H 0.1235 0.8330 0.7493 0.091 Uiso 1 1 calc R . .
Cl1 Cl 0.21290(19) 0.7976(5) 0.7155(3) 0.1312(19) Uani 1 1 d . . .
Cl2 Cl 0.1407(2) 0.5826(7) 0.7854(3) 0.158(2) Uani 1 1 d . . .
Cl3 Cl 0.11167(16) 0.6915(3) 0.6502(2) 0.0951(11) Uani 1 1 d . . .


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

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 O1 2.083(6) 2_665 ?
Co1 N1 2.114(5) . ?
Co1 N3 2.120(5) 3_445 ?
Co1 O5 2.162(6) . ?
Co1 O2 2.196(6) . ?
Co1 O3 2.302(9) . ?
P1 O1 1.480(6) . ?
P1 C25 1.781(8) . ?
P1 C28 1.811(8) . ?
P1 C34 1.814(8) . ?
N1 C5 1.338(9) . ?
N1 C1 1.343(10) . ?
N2 C6 1.330(9) . ?
N2 C10 1.338(9) . ?
N3 C14 1.329(10) . ?
N3 C13 1.357(11) . ?
N3 Co1 2.120(5) 3_545 ?
N4 O7 1.215(10) . ?
N4 O6 1.238(10) . ?
N4 O5 1.268(9) . ?
N5 O4 1.215(10) . ?
N5 O2 1.242(10) . ?
N5 O3 1.301(10) . ?
C1 C2 1.395(10) . ?
C1 H1A 0.9500 . ?
C2 C3 1.368(10) . ?
C2 H2B 0.9500 . ?
C3 C4 1.400(9) . ?
C3 C6 1.504(9) . ?
C4 C5 1.363(10) . ?
C4 H4A 0.9500 . ?
C5 H5A 0.9500 . ?
C6 C7 1.391(9) . ?
C7 C8 1.376(10) . ?
C7 H7A 0.9500 . ?
C8 C9 1.378(10) . ?
C8 C16 1.502(9) . ?
C9 C10 1.401(10) . ?
C9 H9A 0.9500 . ?
C10 C11 1.480(10) . ?
C11 C12 1.369(11) . ?
C11 C15 1.386(11) . ?
C12 C13 1.362(10) . ?
C12 H12A 0.9500 . ?
C13 H13A 0.9500 . ?
C14 C15 1.366(10) . ?
C14 H14A 0.9500 . ?
C15 H15A 0.9500 . ?
C16 C17 1.380(10) . ?
C16 C21 1.387(10) . ?
C17 C18 1.413(10) . ?
C17 H17A 0.9500 . ?
C18 C19 1.361(10) . ?
C18 H18A 0.9500 . ?
C19 C20 1.372(11) . ?
C19 C22 1.501(10) . ?
C20 C21 1.397(10) . ?
C20 H20A 0.9500 . ?
C21 H21A 0.9500 . ?
C22 C23 1.366(10) . ?
C22 C27 1.394(11) . ?
C23 C24 1.401(10) . ?
C23 H23A 0.9500 . ?
C24 C25 1.419(11) . ?
C24 H24A 0.9500 . ?
C25 C26 1.387(10) . ?
C26 C27 1.367(11) . ?
C26 H26A 0.9500 . ?
C27 H27A 0.9500 . ?
C28 C29 1.377(12) . ?
C28 C33 1.413(11) . ?
C29 C30 1.375(12) . ?
C29 H29A 0.9500 . ?
C30 C31 1.400(14) . ?
C30 H30A 0.9500 . ?
C31 C32 1.368(15) . ?
C31 H31A 0.9500 . ?
C32 C33 1.368(13) . ?
C32 H32A 0.9500 . ?
C33 H33A 0.9500 . ?
C34 C35 1.369(11) . ?
C34 C39 1.399(12) . ?
C35 C36 1.406(13) . ?
C35 H35A 0.9500 . ?
C36 C37 1.410(15) . ?
C36 H36A 0.9500 . ?
C37 C38 1.357(15) . ?
C37 H37A 0.9500 . ?
C38 C39 1.398(13) . ?
C38 H38A 0.9500 . ?
C39 H39A 0.9500 . ?
O1 Co1 2.083(6) 2_664 ?
C1S Cl1 1.718(12) . ?
C1S Cl3 1.732(15) . ?
C1S Cl2 1.768(14) . ?
C1S H1SA 1.0000 . ?

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 N1 92.3(2) 2_665 . ?
O1 Co1 N3 91.6(2) 2_665 3_445 ?
N1 Co1 N3 175.6(2) . 3_445 ?
O1 Co1 O5 95.9(2) 2_665 . ?
N1 Co1 O5 86.0(2) . . ?
N3 Co1 O5 91.6(2) 3_445 . ?
O1 Co1 O2 84.9(2) 2_665 . ?
N1 Co1 O2 92.0(2) . . ?
N3 Co1 O2 90.3(2) 3_445 . ?
O5 Co1 O2 177.9(2) . . ?
O1 Co1 O3 141.3(3) 2_665 . ?
N1 Co1 O3 85.3(3) . . ?
N3 Co1 O3 92.8(3) 3_445 . ?
O5 Co1 O3 122.4(3) . . ?
O2 Co1 O3 56.7(2) . . ?
O1 P1 C25 111.5(3) . . ?
O1 P1 C28 110.8(4) . . ?
C25 P1 C28 107.9(4) . . ?
O1 P1 C34 109.8(3) . . ?
C25 P1 C34 106.9(4) . . ?
C28 P1 C34 109.8(4) . . ?
C5 N1 C1 116.7(6) . . ?
C5 N1 Co1 119.0(4) . . ?
C1 N1 Co1 124.0(5) . . ?
C6 N2 C10 118.8(5) . . ?
C14 N3 C13 116.0(6) . . ?
C14 N3 Co1 119.6(5) . 3_545 ?
C13 N3 Co1 124.0(5) . 3_545 ?
O7 N4 O6 121.4(9) . . ?
O7 N4 O5 120.5(9) . . ?
O6 N4 O5 118.1(8) . . ?
O4 N5 O2 123.3(9) . . ?
O4 N5 O3 122.4(10) . . ?
O2 N5 O3 114.2(8) . . ?
N1 C1 C2 122.7(7) . . ?
N1 C1 H1A 118.6 . . ?
C2 C1 H1A 118.6 . . ?
C3 C2 C1 119.4(7) . . ?
C3 C2 H2B 120.3 . . ?
C1 C2 H2B 120.3 . . ?
C2 C3 C4 117.9(6) . . ?
C2 C3 C6 124.2(6) . . ?
C4 C3 C6 117.8(6) . . ?
C5 C4 C3 118.9(6) . . ?
C5 C4 H4A 120.6 . . ?
C3 C4 H4A 120.6 . . ?
N1 C5 C4 124.2(6) . . ?
N1 C5 H5A 117.9 . . ?
C4 C5 H5A 117.9 . . ?
N2 C6 C7 121.9(6) . . ?
N2 C6 C3 114.3(5) . . ?
C7 C6 C3 123.7(6) . . ?
C8 C7 C6 119.9(6) . . ?
C8 C7 H7A 120.0 . . ?
C6 C7 H7A 120.0 . . ?
C7 C8 C9 118.2(6) . . ?
C7 C8 C16 123.7(6) . . ?
C9 C8 C16 117.9(6) . . ?
C8 C9 C10 119.0(6) . . ?
C8 C9 H9A 120.5 . . ?
C10 C9 H9A 120.5 . . ?
N2 C10 C9 122.0(6) . . ?
N2 C10 C11 115.1(6) . . ?
C9 C10 C11 122.8(6) . . ?
C12 C11 C15 116.3(6) . . ?
C12 C11 C10 124.2(7) . . ?
C15 C11 C10 119.2(6) . . ?
C13 C12 C11 121.0(7) . . ?
C13 C12 H12A 119.5 . . ?
C11 C12 H12A 119.5 . . ?
N3 C13 C12 122.7(8) . . ?
N3 C13 H13A 118.7 . . ?
C12 C13 H13A 118.7 . . ?
N3 C14 C15 123.8(7) . . ?
N3 C14 H14A 118.1 . . ?
C15 C14 H14A 118.1 . . ?
C14 C15 C11 120.0(7) . . ?
C14 C15 H15A 120.0 . . ?
C11 C15 H15A 120.0 . . ?
C17 C16 C21 118.8(6) . . ?
C17 C16 C8 120.9(6) . . ?
C21 C16 C8 120.2(6) . . ?
C16 C17 C18 119.9(7) . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C19 C18 C17 120.6(7) . . ?
C19 C18 H18A 119.7 . . ?
C17 C18 H18A 119.7 . . ?
C18 C19 C20 119.5(6) . . ?
C18 C19 C22 121.1(7) . . ?
C20 C19 C22 119.2(6) . . ?
C19 C20 C21 120.7(6) . . ?
C19 C20 H20A 119.7 . . ?
C21 C20 H20A 119.7 . . ?
C16 C21 C20 120.1(7) . . ?
C16 C21 H21A 120.0 . . ?
C20 C21 H21A 120.0 . . ?
C23 C22 C27 119.6(7) . . ?
C23 C22 C19 122.7(7) . . ?
C27 C22 C19 117.6(6) . . ?
C22 C23 C24 121.1(7) . . ?
C22 C23 H23A 119.5 . . ?
C24 C23 H23A 119.5 . . ?
C23 C24 C25 119.8(7) . . ?
C23 C24 H24A 120.1 . . ?
C25 C24 H24A 120.1 . . ?
C26 C25 C24 116.8(7) . . ?
C26 C25 P1 119.1(6) . . ?
C24 C25 P1 124.1(6) . . ?
C27 C26 C25 123.2(8) . . ?
C27 C26 H26A 118.4 . . ?
C25 C26 H26A 118.4 . . ?
C26 C27 C22 119.4(7) . . ?
C26 C27 H27A 120.3 . . ?
C22 C27 H27A 120.3 . . ?
C29 C28 C33 118.7(8) . . ?
C29 C28 P1 119.8(6) . . ?
C33 C28 P1 121.5(6) . . ?
C30 C29 C28 121.4(8) . . ?
C30 C29 H29A 119.3 . . ?
C28 C29 H29A 119.3 . . ?
C29 C30 C31 119.0(9) . . ?
C29 C30 H30A 120.5 . . ?
C31 C30 H30A 120.5 . . ?
C32 C31 C30 120.1(9) . . ?
C32 C31 H31A 120.0 . . ?
C30 C31 H31A 120.0 . . ?
C33 C32 C31 121.0(9) . . ?
C33 C32 H32A 119.5 . . ?
C31 C32 H32A 119.5 . . ?
C32 C33 C28 119.7(9) . . ?
C32 C33 H33A 120.2 . . ?
C28 C33 H33A 120.2 . . ?
C35 C34 C39 121.3(8) . . ?
C35 C34 P1 118.8(7) . . ?
C39 C34 P1 119.9(6) . . ?
C34 C35 C36 119.7(9) . . ?
C34 C35 H35A 120.1 . . ?
C36 C35 H35A 120.1 . . ?
C35 C36 C37 118.8(8) . . ?
C35 C36 H36A 120.6 . . ?
C37 C36 H36A 120.6 . . ?
C38 C37 C36 120.5(8) . . ?
C38 C37 H37A 119.7 . . ?
C36 C37 H37A 119.7 . . ?
C37 C38 C39 120.9(10) . . ?
C37 C38 H38A 119.5 . . ?
C39 C38 H38A 119.5 . . ?
C38 C39 C34 118.6(8) . . ?
C38 C39 H39A 120.7 . . ?
C34 C39 H39A 120.7 . . ?
P1 O1 Co1 159.6(4) . 2_664 ?
N5 O2 Co1 97.9(5) . . ?
N5 O3 Co1 91.1(6) . . ?
N4 O5 Co1 101.9(5) . . ?
Cl1 C1S Cl3 112.3(8) . . ?
Cl1 C1S Cl2 110.0(8) . . ?
Cl3 C1S Cl2 107.7(7) . . ?
Cl1 C1S H1SA 108.9 . . ?
Cl3 C1S H1SA 108.9 . . ?
Cl2 C1S H1SA 108.9 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Co1 N1 C5 35.7(7) 2_665 . . . ?
O5 Co1 N1 C5 131.5(7) . . . . ?
O2 Co1 N1 C5 -49.2(7) . . . . ?
O3 Co1 N1 C5 -105.6(7) . . . . ?
O1 Co1 N1 C1 -150.3(8) 2_665 . . . ?
O5 Co1 N1 C1 -54.6(8) . . . . ?
O2 Co1 N1 C1 124.7(8) . . . . ?
O3 Co1 N1 C1 68.4(8) . . . . ?
C5 N1 C1 C2 -2.4(14) . . . . ?
Co1 N1 C1 C2 -176.5(7) . . . . ?
N1 C1 C2 C3 3.4(15) . . . . ?
C1 C2 C3 C4 -4.0(13) . . . . ?
C1 C2 C3 C6 173.3(8) . . . . ?
C2 C3 C4 C5 3.8(12) . . . . ?
C6 C3 C4 C5 -173.6(7) . . . . ?
C1 N1 C5 C4 2.4(13) . . . . ?
Co1 N1 C5 C4 176.8(7) . . . . ?
C3 C4 C5 N1 -3.1(14) . . . . ?
C10 N2 C6 C7 -2.2(10) . . . . ?
C10 N2 C6 C3 173.6(6) . . . . ?
C2 C3 C6 N2 -177.9(7) . . . . ?
C4 C3 C6 N2 -0.6(10) . . . . ?
C2 C3 C6 C7 -2.2(11) . . . . ?
C4 C3 C6 C7 175.1(7) . . . . ?
N2 C6 C7 C8 1.4(11) . . . . ?
C3 C6 C7 C8 -174.0(7) . . . . ?
C6 C7 C8 C9 1.8(11) . . . . ?
C6 C7 C8 C16 176.8(7) . . . . ?
C7 C8 C9 C10 -3.9(11) . . . . ?
C16 C8 C9 C10 -179.3(7) . . . . ?
C6 N2 C10 C9 -0.1(11) . . . . ?
C6 N2 C10 C11 -176.9(7) . . . . ?
C8 C9 C10 N2 3.2(12) . . . . ?
C8 C9 C10 C11 179.8(7) . . . . ?
N2 C10 C11 C12 143.8(7) . . . . ?
C9 C10 C11 C12 -33.0(12) . . . . ?
N2 C10 C11 C15 -29.9(10) . . . . ?
C9 C10 C11 C15 153.4(8) . . . . ?
C15 C11 C12 C13 2.4(12) . . . . ?
C10 C11 C12 C13 -171.4(8) . . . . ?
C14 N3 C13 C12 -3.4(12) . . . . ?
Co1 N3 C13 C12 168.9(7) 3_545 . . . ?
C11 C12 C13 N3 -0.4(14) . . . . ?
C13 N3 C14 C15 5.3(11) . . . . ?
Co1 N3 C14 C15 -167.4(6) 3_545 . . . ?
N3 C14 C15 C11 -3.4(12) . . . . ?
C12 C11 C15 C14 -0.7(11) . . . . ?
C10 C11 C15 C14 173.5(7) . . . . ?
C7 C8 C16 C17 -22.7(11) . . . . ?
C9 C8 C16 C17 152.4(8) . . . . ?
C7 C8 C16 C21 159.4(8) . . . . ?
C9 C8 C16 C21 -25.6(11) . . . . ?
C21 C16 C17 C18 4.8(11) . . . . ?
C8 C16 C17 C18 -173.1(7) . . . . ?
C16 C17 C18 C19 0.7(11) . . . . ?
C17 C18 C19 C20 -3.4(12) . . . . ?
C17 C18 C19 C22 171.1(7) . . . . ?
C18 C19 C20 C21 0.4(12) . . . . ?
C22 C19 C20 C21 -174.1(7) . . . . ?
C17 C16 C21 C20 -7.8(12) . . . . ?
C8 C16 C21 C20 170.2(7) . . . . ?
C19 C20 C21 C16 5.2(12) . . . . ?
C18 C19 C22 C23 50.7(11) . . . . ?
C20 C19 C22 C23 -134.9(9) . . . . ?
C18 C19 C22 C27 -126.7(9) . . . . ?
C20 C19 C22 C27 47.8(10) . . . . ?
C27 C22 C23 C24 -1.5(12) . . . . ?
C19 C22 C23 C24 -178.9(7) . . . . ?
C22 C23 C24 C25 2.4(12) . . . . ?
C23 C24 C25 C26 -0.6(11) . . . . ?
C23 C24 C25 P1 178.0(6) . . . . ?
O1 P1 C25 C26 48.3(7) . . . . ?
C28 P1 C25 C26 170.2(6) . . . . ?
C34 P1 C25 C26 -71.8(7) . . . . ?
O1 P1 C25 C24 -130.3(7) . . . . ?
C28 P1 C25 C24 -8.4(8) . . . . ?
C34 P1 C25 C24 109.6(7) . . . . ?
C24 C25 C26 C27 -2.1(12) . . . . ?
P1 C25 C26 C27 179.2(7) . . . . ?
C25 C26 C27 C22 3.0(13) . . . . ?
C23 C22 C27 C26 -1.1(12) . . . . ?
C19 C22 C27 C26 176.4(7) . . . . ?
O1 P1 C28 C29 67.1(8) . . . . ?
C25 P1 C28 C29 -55.3(8) . . . . ?
C34 P1 C28 C29 -171.5(7) . . . . ?
O1 P1 C28 C33 -114.8(7) . . . . ?
C25 P1 C28 C33 122.9(7) . . . . ?
C34 P1 C28 C33 6.7(8) . . . . ?
C33 C28 C29 C30 -2.8(13) . . . . ?
P1 C28 C29 C30 175.4(7) . . . . ?
C28 C29 C30 C31 2.5(14) . . . . ?
C29 C30 C31 C32 -0.5(14) . . . . ?
C30 C31 C32 C33 -1.1(15) . . . . ?
C31 C32 C33 C28 0.7(14) . . . . ?
C29 C28 C33 C32 1.2(13) . . . . ?
P1 C28 C33 C32 -177.0(7) . . . . ?
O1 P1 C34 C35 42.5(7) . . . . ?
C25 P1 C34 C35 163.7(6) . . . . ?
C28 P1 C34 C35 -79.5(7) . . . . ?
O1 P1 C34 C39 -137.0(7) . . . . ?
C25 P1 C34 C39 -15.8(8) . . . . ?
C28 P1 C34 C39 101.0(7) . . . . ?
C39 C34 C35 C36 4.4(13) . . . . ?
P1 C34 C35 C36 -175.1(6) . . . . ?
C34 C35 C36 C37 -3.3(13) . . . . ?
C35 C36 C37 C38 2.2(15) . . . . ?
C36 C37 C38 C39 -2.1(15) . . . . ?
C37 C38 C39 C34 3.1(14) . . . . ?
C35 C34 C39 C38 -4.2(13) . . . . ?
P1 C34 C39 C38 175.2(7) . . . . ?
C25 P1 O1 Co1 -54.1(10) . . . 2_664 ?
C28 P1 O1 Co1 -174.3(9) . . . 2_664 ?
C34 P1 O1 Co1 64.3(10) . . . 2_664 ?
O4 N5 O2 Co1 -179.6(7) . . . . ?
O3 N5 O2 Co1 3.0(7) . . . . ?
O1 Co1 O2 N5 -177.1(5) 2_665 . . . ?
N1 Co1 O2 N5 -84.9(5) . . . . ?
N3 Co1 O2 N5 91.3(5) 3_445 . . . ?
O3 Co1 O2 N5 -1.8(4) . . . . ?
O4 N5 O3 Co1 179.7(7) . . . . ?
O2 N5 O3 Co1 -2.8(7) . . . . ?
O1 Co1 O3 N5 9.3(7) 2_665 . . . ?
N1 Co1 O3 N5 97.3(5) . . . . ?
N3 Co1 O3 N5 -86.8(5) 3_445 . . . ?
O5 Co1 O3 N5 179.5(4) . . . . ?
O2 Co1 O3 N5 1.7(4) . . . . ?
O7 N4 O5 Co1 -8.8(9) . . . . ?
O6 N4 O5 Co1 168.6(6) . . . . ?
O1 Co1 O5 N4 -167.1(4) 2_665 . . . ?
N1 Co1 O5 N4 100.9(4) . . . . ?
N3 Co1 O5 N4 -75.3(5) 3_445 . . . ?
O3 Co1 O5 N4 19.0(5) . . . . ?

_diffrn_measured_fraction_theta_max 0.978
_diffrn_reflns_theta_full        62.36
_diffrn_measured_fraction_theta_full 0.978
_refine_diff_density_max         0.902
_refine_diff_density_min         -0.374
_refine_diff_density_rms         0.079
_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: MeCN-CHCl3'
