#------------------------------------------------------------------------------
#$Date: 2016-03-23 14:43:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179303 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/00/4320092.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4320092
loop_
_publ_author_name
'Christopher Incarvito'
'Arnold L. Rheingold'
'Anna L. Gavrilova'
'C. Jin Qin'
'B. Bosnich'
_publ_contact_author
;
       Dr. B. Bosnich
       Department of Chemistry
       University of chicago, Newark, DE 19716
       USA
;
_publ_contact_author_email       bos5@midway.uchicago.edu
_publ_contact_author_fax         '+773 702 0805'
_publ_contact_author_phone       '+773 702 0287'
_publ_section_title
;
 Bimetallic Reactivity. One-site Addition Two-metal Oxidation Reactions
 Using a Di-Co(II) Complex of a Binucleating Ligand with 5- and
 6-Coordinate Sites
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4101
_journal_page_last               4108
_journal_paper_doi               10.1021/ic010235r
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C43 H43 Co2 F12 N15 O4 P2'
_chemical_formula_weight         1241.72
_chemical_name_systematic
;

   ?

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.42(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.371(14)
_cell_length_b                   23.92(3)
_cell_length_c                   33.29(3)
_cell_measurement_temperature    173(2)
_cell_volume                     9689(19)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.858
_diffrn_measured_fraction_theta_max 0.858
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0829
_diffrn_reflns_av_sigmaI/netI    0.1140
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       44
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            46024
_diffrn_reflns_theta_full        29.08
_diffrn_reflns_theta_max         29.08
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    0.859
_exptl_absorpt_correction_T_max  0.9190
_exptl_absorpt_correction_T_min  0.7826
_exptl_absorpt_correction_type   'Empirical from SADABS'
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.703
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             5040
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.429
_refine_diff_density_min         -1.525
_refine_diff_density_rms         0.152
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.224
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1213
_refine_ls_number_reflns         22260
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.224
_refine_ls_R_factor_all          0.1607
_refine_ls_R_factor_gt           0.0950
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2261
_refine_ls_wR_factor_ref         0.2514
_reflns_number_gt                11847
_reflns_number_total             22260
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic010235r.cif
_cod_data_source_block           bos34
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        9686(18)
_cod_database_code               4320092
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.07746(6) 0.32422(4) 0.06295(2) 0.01873(19) Uani 1 1 d . . .
Co2 Co 0.20830(6) 0.42383(3) 0.12400(2) 0.01785(19) Uani 1 1 d . . .
P1 P -0.0831(2) 0.68166(10) 0.13631(6) 0.0519(6) Uani 1 1 d . . .
P2 P 0.52609(16) 0.20126(10) 0.12075(6) 0.0448(5) Uani 1 1 d . . .
P1' P 0.44663(15) 0.74899(8) 0.26382(5) 0.0324(4) Uani 1 1 d . . .
P2' P 0.5000 0.5000 0.0000 0.0471(8) Uani 1 2 d S . .
F1 F 0.0418(5) 0.6751(4) 0.1573(2) 0.138(3) Uani 1 1 d . . .
F2 F -0.0933(9) 0.7374(3) 0.1592(2) 0.143(4) Uani 1 1 d . . .
F3 F -0.2073(4) 0.6861(3) 0.11477(19) 0.091(2) Uani 1 1 d . . .
F4 F -0.0729(5) 0.6258(2) 0.11059(16) 0.0845(18) Uani 1 1 d . . .
F5 F -0.1189(6) 0.6468(3) 0.17231(17) 0.093(2) Uani 1 1 d . . .
F6 F -0.0504(5) 0.7164(3) 0.10026(15) 0.0888(19) Uani 1 1 d . . .
F7 F 0.5709(8) 0.1445(3) 0.1118(3) 0.169(5) Uani 1 1 d . . .
F8 F 0.6361(5) 0.2184(4) 0.1481(2) 0.129(3) Uani 1 1 d . . .
F9 F 0.4777(6) 0.2609(3) 0.1284(2) 0.111(2) Uani 1 1 d . . .
F10 F 0.4092(5) 0.1891(3) 0.09315(17) 0.108(2) Uani 1 1 d . . .
F11 F 0.4818(4) 0.1776(3) 0.15936(17) 0.0818(18) Uani 1 1 d . . .
F12 F 0.5683(4) 0.2244(2) 0.08128(15) 0.0698(15) Uani 1 1 d . . .
F1' F 0.5558(6) 0.7723(7) 0.2875(3) 0.228(7) Uani 1 1 d . . .
F2' F 0.3867(10) 0.7922(4) 0.2812(5) 0.277(9) Uani 1 1 d . . .
F3' F 0.4792(5) 0.7883(3) 0.2309(3) 0.128(3) Uani 1 1 d . . .
F4' F 0.4245(7) 0.7140(6) 0.2988(3) 0.223(7) Uani 1 1 d . . .
F5' F 0.3346(7) 0.7329(6) 0.2422(3) 0.216(6) Uani 1 1 d . . .
F6' F 0.5072(12) 0.7071(4) 0.2461(6) 0.320(11) Uani 1 1 d . . .
F7' F 0.4779(6) 0.5095(4) 0.04383(18) 0.146(3) Uani 1 1 d . . .
F8' F 0.5403(6) 0.4411(3) 0.0135(3) 0.146(4) Uani 1 1 d . . .
F9' F 0.3787(5) 0.4806(3) -0.0141(2) 0.110(2) Uani 1 1 d . . .
O1 O -0.0180(9) 0.1956(3) -0.00619(18) 0.140(4) Uani 1 1 d . . .
O2 O 0.2735(3) 0.26974(17) 0.16504(11) 0.0209(9) Uani 1 1 d . . .
O3 O 0.4591(4) 0.5105(2) 0.18383(14) 0.0428(13) Uani 1 1 d . . .
O4 O 0.0964(3) 0.40197(17) 0.07694(11) 0.0206(9) Uani 1 1 d . . .
O1' O 0.3207(5) 0.6881(3) 0.03649(17) 0.0679(19) Uani 1 1 d . . .
O2' O 0.6598(3) 0.77547(17) 0.19307(11) 0.0231(9) Uani 1 1 d . . .
O3' O 0.8413(4) 1.0129(2) 0.19804(17) 0.0548(15) Uani 1 1 d . . .
O4' O 0.4715(3) 0.89947(18) 0.10009(12) 0.0262(10) Uani 1 1 d . . .
N1 N 0.2011(4) 0.3266(2) 0.03408(14) 0.0248(12) Uani 1 1 d . . .
N2 N -0.0640(4) 0.3240(2) 0.07983(14) 0.0224(11) Uani 1 1 d . . .
N3 N -0.0063(4) 0.3426(2) 0.01002(14) 0.0240(12) Uani 1 1 d . . .
N4 N 0.0608(4) 0.2461(2) 0.05056(14) 0.0242(12) Uani 1 1 d . . .
N5 N 0.1653(4) 0.30873(19) 0.11369(13) 0.0166(10) Uani 1 1 d . . .
N6 N 0.2179(3) 0.34969(19) 0.13866(13) 0.0168(10) Uani 1 1 d . . .
N7 N 0.3228(4) 0.4432(2) 0.16938(14) 0.0211(11) Uani 1 1 d . . .
N8 N 0.2066(4) 0.5021(2) 0.11074(15) 0.0258(12) Uani 1 1 d . . .
N9 N 0.0948(4) 0.4421(2) 0.15621(13) 0.0209(11) Uani 1 1 d . . .
N10 N 0.3135(4) 0.4118(2) 0.08852(14) 0.0227(11) Uani 1 1 d . . .
N11 N 0.4086(4) 0.4032(2) 0.10212(15) 0.0271(12) Uani 1 1 d . . .
N12 N 0.5020(5) 0.3958(3) 0.11286(19) 0.054(2) Uani 1 1 d . . .
N1' N 0.5777(4) 0.8231(2) 0.05797(13) 0.0258(12) Uani 1 1 d . . .
N2' N 0.3198(4) 0.8184(2) 0.10764(15) 0.0304(13) Uani 1 1 d . . .
N3' N 0.3692(4) 0.8341(3) 0.03588(14) 0.0352(15) Uani 1 1 d . . .
N4' N 0.4470(4) 0.7422(2) 0.07980(15) 0.0319(14) Uani 1 1 d . . .
N5' N 0.5517(4) 0.8089(2) 0.13995(13) 0.0205(11) Uani 1 1 d . . .
N6' N 0.6002(3) 0.8529(2) 0.16328(12) 0.0180(10) Uani 1 1 d . . .
N7' N 0.6995(4) 0.9490(2) 0.18895(15) 0.0252(11) Uani 1 1 d . . .
N8' N 0.5790(4) 1.0041(2) 0.12930(17) 0.0326(13) Uani 1 1 d . . .
N9' N 0.4708(4) 0.9443(2) 0.17725(14) 0.0251(12) Uani 1 1 d . . .
N10' N 0.6892(4) 0.9129(2) 0.10973(14) 0.0269(12) Uani 1 1 d . . .
N11' N 0.7834(4) 0.8994(2) 0.12264(14) 0.0298(13) Uani 1 1 d . . .
N12' N 0.8736(5) 0.8865(3) 0.13214(19) 0.064(2) Uani 1 1 d . . .
C1 C 0.0639(5) 0.3790(3) -0.01009(17) 0.0312(16) Uani 1 1 d . . .
H1A H 0.0625 0.4177 0.0003 0.037 Uiso 1 1 calc R . .
H1B H 0.0369 0.3795 -0.0400 0.037 Uiso 1 1 calc R . .
C2 C 0.1786(5) 0.3563(3) -0.00095(17) 0.0281(15) Uani 1 1 d . . .
C3 C 0.2588(6) 0.3632(3) -0.0241(2) 0.0396(18) Uani 1 1 d . . .
H3A H 0.2427 0.3838 -0.0488 0.048 Uiso 1 1 calc R . .
C4 C 0.3612(6) 0.3410(3) -0.0123(2) 0.0433(19) Uani 1 1 d . . .
H4A H 0.4171 0.3477 -0.0279 0.052 Uiso 1 1 calc R . .
C5 C 0.3826(5) 0.3086(3) 0.0225(2) 0.0305(15) Uani 1 1 d . . .
H5A H 0.4518 0.2909 0.0305 0.037 Uiso 1 1 calc R . .
C6 C 0.3000(5) 0.3026(3) 0.04574(17) 0.0231(13) Uani 1 1 d . . .
H6A H 0.3139 0.2812 0.0702 0.028 Uiso 1 1 calc R . .
C7 C -0.1106(5) 0.3713(3) 0.01539(18) 0.0299(15) Uani 1 1 d . . .
H7A H -0.1684 0.3649 -0.0089 0.036 Uiso 1 1 calc R . .
H7B H -0.0981 0.4120 0.0186 0.036 Uiso 1 1 calc R . .
C8 C -0.1468(5) 0.3472(3) 0.05342(17) 0.0259(14) Uani 1 1 d . . .
C9 C -0.2524(5) 0.3491(3) 0.0600(2) 0.0383(18) Uani 1 1 d . . .
H9A H -0.3083 0.3653 0.0401 0.046 Uiso 1 1 calc R . .
C10 C -0.2775(6) 0.3281(3) 0.0948(2) 0.0424(19) Uani 1 1 d . . .
H10A H -0.3495 0.3298 0.1009 0.051 Uiso 1 1 calc R . .
C11 C -0.1865(6) 0.3027(3) 0.12189(18) 0.0365(18) Uani 1 1 d . . .
H11A H -0.2002 0.2867 0.1466 0.044 Uiso 1 1 calc R . .
C12 C -0.0895(5) 0.3007(3) 0.11471(17) 0.0240(13) Uani 1 1 d . . .
H12A H -0.0336 0.2828 0.1337 0.029 Uiso 1 1 calc R . .
C13 C -0.0313(5) 0.2896(3) -0.01301(18) 0.0305(15) Uani 1 1 d . . .
H13A H 0.0061 0.2900 -0.0369 0.037 Uiso 1 1 calc R . .
H13B H -0.1114 0.2877 -0.0234 0.037 Uiso 1 1 calc R . .
C14 C 0.0031(6) 0.2387(3) 0.01162(18) 0.044(2) Uani 1 1 d . . .
C15 C 0.0992(5) 0.2014(3) 0.07558(16) 0.0249(14) Uani 1 1 d . . .
C16 C 0.0729(5) 0.1461(3) 0.06404(19) 0.0325(16) Uani 1 1 d . . .
H16A H 0.0261 0.1384 0.0387 0.039 Uiso 1 1 calc R . .
C17 C 0.1147(6) 0.1030(3) 0.0893(2) 0.0377(17) Uani 1 1 d . . .
H17A H 0.0951 0.0659 0.0808 0.045 Uiso 1 1 calc R . .
C18 C 0.1833(6) 0.1106(3) 0.1262(2) 0.0360(16) Uani 1 1 d . . .
H18A H 0.2117 0.0795 0.1424 0.043 Uiso 1 1 calc R . .
C19 C 0.2098(5) 0.1635(3) 0.13893(19) 0.0291(15) Uani 1 1 d . . .
H19A H 0.2559 0.1700 0.1646 0.035 Uiso 1 1 calc R . .
C20 C 0.1684(5) 0.2081(2) 0.11394(16) 0.0190(12) Uani 1 1 d . . .
C21 C 0.1994(4) 0.2607(3) 0.12982(15) 0.0179(12) Uani 1 1 d . . .
C22 C 0.2829(4) 0.3255(2) 0.16847(15) 0.0164(11) Uani 1 1 d . . .
C23 C 0.3506(4) 0.3514(2) 0.20299(15) 0.0169(12) Uani 1 1 d . . .
C24 C 0.3970(5) 0.3190(3) 0.23636(17) 0.0267(14) Uani 1 1 d . . .
H24A H 0.3858 0.2796 0.2354 0.032 Uiso 1 1 calc R . .
C25 C 0.4588(5) 0.3426(3) 0.27074(18) 0.0295(15) Uani 1 1 d . . .
H25A H 0.4944 0.3197 0.2925 0.035 Uiso 1 1 calc R . .
C26 C 0.4679(5) 0.3990(3) 0.27297(16) 0.0296(16) Uani 1 1 d . . .
H26A H 0.5062 0.4158 0.2973 0.036 Uiso 1 1 calc R . .
C27 C 0.4221(5) 0.4329(3) 0.24028(17) 0.0246(14) Uani 1 1 d . . .
H27A H 0.4299 0.4723 0.2427 0.029 Uiso 1 1 calc R . .
C28 C 0.3646(4) 0.4098(2) 0.20375(15) 0.0175(12) Uani 1 1 d . . .
C29 C 0.3753(5) 0.4909(3) 0.16289(19) 0.0281(14) Uani 1 1 d . . .
C30 C 0.3226(5) 0.5204(3) 0.12459(18) 0.0252(13) Uani 1 1 d . . .
H30A H 0.3241 0.5612 0.1296 0.030 Uiso 1 1 calc R . .
H30B H 0.3653 0.5128 0.1027 0.030 Uiso 1 1 calc R . .
C31 C 0.1359(6) 0.5336(3) 0.1363(2) 0.0427(18) Uani 1 1 d . . .
H31A H 0.1838 0.5578 0.1561 0.051 Uiso 1 1 calc R . .
H31B H 0.0837 0.5579 0.1182 0.051 Uiso 1 1 calc R . .
C32 C 0.0733(5) 0.4958(3) 0.15891(19) 0.0251(14) Uani 1 1 d . . .
C33 C 0.0001(5) 0.5148(3) 0.1816(2) 0.0368(17) Uani 1 1 d . . .
H33A H -0.0098 0.5539 0.1842 0.044 Uiso 1 1 calc R . .
C34 C -0.0603(6) 0.4783(3) 0.2012(2) 0.0384(18) Uani 1 1 d . . .
H34A H -0.1123 0.4908 0.2170 0.046 Uiso 1 1 calc R . .
C35 C -0.0391(5) 0.4222(3) 0.1959(2) 0.0344(16) Uani 1 1 d . . .
H35A H -0.0798 0.3951 0.2077 0.041 Uiso 1 1 calc R . .
C36 C 0.0355(5) 0.4050(3) 0.17495(17) 0.0233(13) Uani 1 1 d . . .
H36A H 0.0486 0.3660 0.1728 0.028 Uiso 1 1 calc R . .
C37 C 0.1709(6) 0.5155(3) 0.0668(2) 0.0396(18) Uani 1 1 d . . .
H37A H 0.1720 0.5561 0.0630 0.059 Uiso 1 1 calc R . .
H37B H 0.0962 0.5014 0.0575 0.059 Uiso 1 1 calc R . .
H37C H 0.2210 0.4978 0.0510 0.059 Uiso 1 1 calc R . .
Co3 Co 0.45951(6) 0.82069(4) 0.08865(2) 0.0231(2) Uani 1 1 d . . .
Co4 Co 0.58389(6) 0.92600(4) 0.14516(2) 0.0208(2) Uani 1 1 d . . .
C1' C 0.4350(5) 0.8699(4) 0.01348(19) 0.0403(19) Uani 1 1 d . . .
H1'A H 0.4323 0.9092 0.0227 0.048 Uiso 1 1 calc R . .
H1'B H 0.4050 0.8684 -0.0162 0.048 Uiso 1 1 calc R . .
C2' C 0.5515(5) 0.8491(3) 0.02168(18) 0.0306(15) Uani 1 1 d . . .
C3' C 0.6262(5) 0.8553(3) -0.00388(19) 0.0341(16) Uani 1 1 d . . .
H3'A H 0.6062 0.8739 -0.0294 0.041 Uiso 1 1 calc R . .
C4' C 0.7295(6) 0.8345(3) 0.0080(2) 0.0405(18) Uani 1 1 d . . .
H4'A H 0.7835 0.8393 -0.0087 0.049 Uiso 1 1 calc R . .
C5' C 0.7531(7) 0.8074(3) 0.0430(2) 0.0411(19) Uani 1 1 d . . .
H5'A H 0.8244 0.7918 0.0507 0.049 Uiso 1 1 calc R . .
C6' C 0.6790(5) 0.8011(3) 0.06844(18) 0.0280(14) Uani 1 1 d . . .
H6'A H 0.6989 0.7813 0.0934 0.034 Uiso 1 1 calc R . .
C7' C 0.2658(5) 0.8627(4) 0.04242(18) 0.044(2) Uani 1 1 d . . .
H7'A H 0.2060 0.8557 0.0189 0.053 Uiso 1 1 calc R . .
H7'B H 0.2780 0.9036 0.0450 0.053 Uiso 1 1 calc R . .
C8' C 0.2348(5) 0.8398(3) 0.08097(19) 0.0376(18) Uani 1 1 d . . .
C9' C 0.1292(5) 0.8407(3) 0.08950(19) 0.0388(19) Uani 1 1 d . . .
H9'A H 0.0705 0.8569 0.0708 0.047 Uiso 1 1 calc R . .
C10' C 0.1106(5) 0.8174(3) 0.1260(2) 0.045(2) Uani 1 1 d . . .
H10B H 0.0389 0.8173 0.1325 0.054 Uiso 1 1 calc R . .
C11' C 0.1975(6) 0.7945(3) 0.1524(2) 0.0389(18) Uani 1 1 d . . .
H11B H 0.1861 0.7781 0.1772 0.047 Uiso 1 1 calc R . .
C12' C 0.3019(5) 0.7954(3) 0.14272(18) 0.0296(15) Uani 1 1 d . . .
H12B H 0.3617 0.7796 0.1612 0.036 Uiso 1 1 calc R . .
C13' C 0.3475(6) 0.7793(3) 0.01664(18) 0.042(2) Uani 1 1 d . . .
H13C H 0.3920 0.7755 -0.0051 0.050 Uiso 1 1 calc R . .
H13D H 0.2691 0.7775 0.0035 0.050 Uiso 1 1 calc R . .
C14' C 0.3723(6) 0.7313(4) 0.0454(2) 0.045(2) Uani 1 1 d . . .
C15' C 0.4963(5) 0.6979(3) 0.10588(18) 0.0296(15) Uani 1 1 d . . .
C16' C 0.4857(5) 0.6432(3) 0.0947(2) 0.0376(18) Uani 1 1 d . . .
H16B H 0.4425 0.6335 0.0691 0.045 Uiso 1 1 calc R . .
C17' C 0.5361(6) 0.6019(4) 0.1198(3) 0.050(2) Uani 1 1 d . . .
H17B H 0.5288 0.5643 0.1104 0.060 Uiso 1 1 calc R . .
C18' C 0.5973(7) 0.6123(4) 0.1582(3) 0.054(2) Uani 1 1 d . . .
H18B H 0.6291 0.5828 0.1755 0.065 Uiso 1 1 calc R . .
C19' C 0.6097(6) 0.6668(3) 0.1701(2) 0.0401(18) Uani 1 1 d . . .
H19B H 0.6510 0.6759 0.1962 0.048 Uiso 1 1 calc R . .
C20' C 0.5615(5) 0.7097(3) 0.14373(19) 0.0296(15) Uani 1 1 d . . .
C21' C 0.5882(5) 0.7643(3) 0.15798(17) 0.0234(13) Uani 1 1 d . . .
C22' C 0.6641(4) 0.8319(2) 0.19468(16) 0.0191(12) Uani 1 1 d . . .
C23' C 0.7280(4) 0.8627(3) 0.22729(16) 0.0233(14) Uani 1 1 d . . .
C24' C 0.7745(5) 0.8318(3) 0.26269(18) 0.0317(16) Uani 1 1 d . . .
H24B H 0.7644 0.7925 0.2637 0.038 Uiso 1 1 calc R . .
C25' C 0.8353(5) 0.8602(4) 0.29587(17) 0.0366(19) Uani 1 1 d . . .
H25B H 0.8704 0.8400 0.3192 0.044 Uiso 1 1 calc R . .
C26' C 0.8443(5) 0.9168(4) 0.29468(19) 0.044(2) Uani 1 1 d . . .
H26B H 0.8824 0.9364 0.3178 0.053 Uiso 1 1 calc R . .
C27' C 0.7982(5) 0.9455(3) 0.26011(18) 0.0319(16) Uani 1 1 d . . .
H27B H 0.8051 0.9851 0.2600 0.038 Uiso 1 1 calc R . .
C28' C 0.7419(4) 0.9191(3) 0.22527(17) 0.0253(14) Uani 1 1 d . . .
C29' C 0.7522(5) 0.9950(3) 0.1791(2) 0.0346(16) Uani 1 1 d . . .
C30' C 0.6941(6) 1.0230(3) 0.1406(2) 0.0409(18) Uani 1 1 d . . .
H30C H 0.6955 1.0640 0.1446 0.049 Uiso 1 1 calc R . .
H30D H 0.7336 1.0145 0.1180 0.049 Uiso 1 1 calc R . .
C31' C 0.5092(7) 1.0345(3) 0.1547(3) 0.053(2) Uani 1 1 d . . .
H31C H 0.5571 1.0595 0.1739 0.063 Uiso 1 1 calc R . .
H31D H 0.4563 1.0584 0.1364 0.063 Uiso 1 1 calc R . .
C32' C 0.4479(5) 0.9986(3) 0.1780(2) 0.0335(16) Uani 1 1 d . . .
C33' C 0.3717(6) 1.0181(3) 0.2017(2) 0.0402(18) Uani 1 1 d . . .
H33B H 0.3608 1.0570 0.2047 0.048 Uiso 1 1 calc R . .
C34' C 0.3149(5) 0.9812(3) 0.2200(2) 0.0354(17) Uani 1 1 d . . .
H34B H 0.2599 0.9942 0.2342 0.043 Uiso 1 1 calc R . .
C35' C 0.3344(5) 0.9263(3) 0.2185(2) 0.0385(18) Uani 1 1 d . . .
H35B H 0.2952 0.9002 0.2319 0.046 Uiso 1 1 calc R . .
C36' C 0.4156(5) 0.9083(3) 0.19631(17) 0.0234(13) Uani 1 1 d . . .
H36B H 0.4310 0.8695 0.1950 0.028 Uiso 1 1 calc R . .
C37' C 0.5387(6) 1.0131(3) 0.0849(2) 0.048(2) Uani 1 1 d . . .
H37D H 0.5382 1.0532 0.0788 0.072 Uiso 1 1 calc R . .
H37E H 0.4640 0.9981 0.0773 0.072 Uiso 1 1 calc R . .
H37F H 0.5874 0.9938 0.0692 0.072 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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
N5 Co1 N4 91.3(2) . . ?
N5 Co1 O4 86.99(18) . . ?
N4 Co1 O4 178.33(18) . . ?
N5 Co1 N3 176.8(2) . . ?
N4 Co1 N3 90.4(2) . . ?
O4 Co1 N3 91.28(19) . . ?
N5 Co1 N2 98.4(2) . . ?
N4 Co1 N2 89.6(2) . . ?
O4 Co1 N2 90.52(19) . . ?
N3 Co1 N2 84.3(2) . . ?
N5 Co1 N1 94.1(2) . . ?
N4 Co1 N1 89.1(2) . . ?
O4 Co1 N1 91.1(2) . . ?
N3 Co1 N1 83.2(2) . . ?
N2 Co1 N1 167.50(18) . . ?
N6 Co2 N8 176.59(19) . . ?
N6 Co2 N10 90.0(2) . . ?
N8 Co2 N10 89.2(2) . . ?
N6 Co2 N7 91.2(2) . . ?
N8 Co2 N7 85.6(2) . . ?
N10 Co2 N7 91.9(2) . . ?
N6 Co2 N9 95.1(2) . . ?
N8 Co2 N9 85.9(2) . . ?
N10 Co2 N9 174.1(2) . . ?
N7 Co2 N9 90.9(2) . . ?
N6 Co2 O4 87.56(18) . . ?
N8 Co2 O4 95.68(18) . . ?
N10 Co2 O4 85.88(19) . . ?
N7 Co2 O4 177.48(19) . . ?
N9 Co2 O4 91.39(19) . . ?
F2 P1 F6 88.7(4) . . ?
F2 P1 F3 90.3(5) . . ?
F6 P1 F3 88.9(4) . . ?
F2 P1 F1 91.6(5) . . ?
F6 P1 F1 91.4(4) . . ?
F3 P1 F1 178.0(5) . . ?
F2 P1 F5 91.2(4) . . ?
F6 P1 F5 178.7(4) . . ?
F3 P1 F5 89.8(4) . . ?
F1 P1 F5 89.9(4) . . ?
F2 P1 F4 177.2(4) . . ?
F6 P1 F4 88.6(3) . . ?
F3 P1 F4 88.7(3) . . ?
F1 P1 F4 89.3(4) . . ?
F5 P1 F4 91.5(4) . . ?
F7 P2 F8 92.3(6) . . ?
F7 P2 F9 178.0(5) . . ?
F8 P2 F9 89.1(5) . . ?
F7 P2 F11 91.7(4) . . ?
F8 P2 F11 90.8(3) . . ?
F9 P2 F11 89.7(4) . . ?
F7 P2 F10 92.9(5) . . ?
F8 P2 F10 174.9(5) . . ?
F9 P2 F10 85.8(4) . . ?
F11 P2 F10 89.5(3) . . ?
F7 P2 F12 87.9(4) . . ?
F8 P2 F12 90.4(3) . . ?
F9 P2 F12 90.6(3) . . ?
F11 P2 F12 178.7(3) . . ?
F10 P2 F12 89.2(3) . . ?
F6' P1' F2' 178.8(6) . . ?
F6' P1' F5' 97.5(9) . . ?
F2' P1' F5' 83.1(7) . . ?
F6' P1' F4' 96.4(8) . . ?
F2' P1' F4' 84.8(7) . . ?
F5' P1' F4' 87.0(6) . . ?
F6' P1' F1' 89.3(8) . . ?
F2' P1' F1' 90.1(8) . . ?
F5' P1' F1' 173.0(8) . . ?
F4' P1' F1' 94.1(6) . . ?
F6' P1' F3' 85.0(6) . . ?
F2' P1' F3' 93.8(6) . . ?
F5' P1' F3' 98.8(6) . . ?
F4' P1' F3' 173.9(7) . . ?
F1' P1' F3' 80.0(5) . . ?
F8' P2' F8' 180.0(7) . 3_665 ?
F8' P2' F7' 87.8(5) . . ?
F8' P2' F7' 92.2(5) 3_665 . ?
F8' P2' F7' 92.2(5) . 3_665 ?
F8' P2' F7' 87.8(5) 3_665 3_665 ?
F7' P2' F7' 180.0(7) . 3_665 ?
F8' P2' F9' 93.4(4) . . ?
F8' P2' F9' 86.6(4) 3_665 . ?
F7' P2' F9' 90.2(4) . . ?
F7' P2' F9' 89.8(4) 3_665 . ?
F8' P2' F9' 86.6(4) . 3_665 ?
F8' P2' F9' 93.4(4) 3_665 3_665 ?
F7' P2' F9' 89.8(4) . 3_665 ?
F7' P2' F9' 90.2(4) 3_665 3_665 ?
F9' P2' F9' 180.0(5) . 3_665 ?
C22 O2 C21 105.3(4) . . ?
Co1 O4 Co2 119.23(19) . . ?
C22' O2' C21' 104.2(4) . . ?
Co3 O4' Co4 119.2(2) . . ?
C6 N1 C2 120.6(5) . . ?
C6 N1 Co1 126.9(4) . . ?
C2 N1 Co1 112.5(4) . . ?
C8 N2 C12 117.1(5) . . ?
C8 N2 Co1 115.6(4) . . ?
C12 N2 Co1 127.2(4) . . ?
C1 N3 C13 110.8(5) . . ?
C1 N3 C7 112.0(5) . . ?
C13 N3 C7 110.4(5) . . ?
C1 N3 Co1 106.7(3) . . ?
C13 N3 Co1 107.7(4) . . ?
C7 N3 Co1 109.1(3) . . ?
C14 N4 C15 122.1(5) . . ?
C14 N4 Co1 110.3(5) . . ?
C15 N4 Co1 127.7(4) . . ?
C21 N5 N6 107.3(4) . . ?
C21 N5 Co1 129.5(4) . . ?
N6 N5 Co1 122.7(4) . . ?
C22 N6 N5 107.8(5) . . ?
C22 N6 Co2 129.5(4) . . ?
N5 N6 Co2 121.9(3) . . ?
C29 N7 C28 119.4(5) . . ?
C29 N7 Co2 112.6(4) . . ?
C28 N7 Co2 127.4(4) . . ?
C37 N8 C30 109.8(5) . . ?
C37 N8 C31 110.2(5) . . ?
C30 N8 C31 107.4(5) . . ?
C37 N8 Co2 115.2(4) . . ?
C30 N8 Co2 104.2(3) . . ?
C31 N8 Co2 109.6(4) . . ?
C32 N9 C36 118.0(5) . . ?
C32 N9 Co2 115.3(4) . . ?
C36 N9 Co2 126.7(4) . . ?
N11 N10 Co2 121.2(4) . . ?
N12 N11 N10 175.7(7) . . ?
C2' N1' C6' 118.4(5) . . ?
C2' N1' Co3 113.9(4) . . ?
C6' N1' Co3 127.6(4) . . ?
C12' N2' C8' 119.8(6) . . ?
C12' N2' Co3 126.1(4) . . ?
C8' N2' Co3 114.1(5) . . ?
C13' N3' C1' 112.0(5) . . ?
C13' N3' C7' 112.2(5) . . ?
C1' N3' C7' 111.8(6) . . ?
C13' N3' Co3 106.3(4) . . ?
C1' N3' Co3 106.0(4) . . ?
C7' N3' Co3 108.2(4) . . ?
C14' N4' C15' 121.2(6) . . ?
C14' N4' Co3 110.0(5) . . ?
C15' N4' Co3 128.4(4) . . ?
C21' N5' N6' 107.1(5) . . ?
C21' N5' Co3 131.0(4) . . ?
N6' N5' Co3 121.6(4) . . ?
C22' N6' N5' 107.5(5) . . ?
C22' N6' Co4 130.2(4) . . ?
N5' N6' Co4 121.8(3) . . ?
C29' N7' C28' 119.8(5) . . ?
C29' N7' Co4 112.0(4) . . ?
C28' N7' Co4 127.5(4) . . ?
C30' N8' C37' 110.1(5) . . ?
C30' N8' C31' 109.6(6) . . ?
C37' N8' C31' 111.4(6) . . ?
C30' N8' Co4 104.2(4) . . ?
C37' N8' Co4 113.4(5) . . ?
C31' N8' Co4 107.9(4) . . ?
C36' N9' C32' 119.6(6) . . ?
C36' N9' Co4 126.6(5) . . ?
C32' N9' Co4 113.8(5) . . ?
N11' N10' Co4 122.5(4) . . ?
N12' N11' N10' 175.3(6) . . ?
N3 C1 C2 108.0(5) . . ?
N1 C2 C3 119.4(6) . . ?
N1 C2 C1 113.9(5) . . ?
C3 C2 C1 126.6(6) . . ?
C4 C3 C2 121.3(7) . . ?
C3 C4 C5 119.1(7) . . ?
C4 C5 C6 118.4(6) . . ?
N1 C6 C5 121.0(6) . . ?
N3 C7 C8 108.3(5) . . ?
N2 C8 C9 123.2(6) . . ?
N2 C8 C7 113.2(5) . . ?
C9 C8 C7 123.6(5) . . ?
C10 C9 C8 120.1(6) . . ?
C9 C10 C11 114.7(6) . . ?
C12 C11 C10 123.9(7) . . ?
C11 C12 N2 120.9(6) . . ?
N3 C13 C14 113.7(5) . . ?
O1 C14 N4 127.5(7) . . ?
O1 C14 C13 114.8(6) . . ?
N4 C14 C13 117.6(6) . . ?
N4 C15 C16 121.8(5) . . ?
N4 C15 C20 122.8(5) . . ?
C16 C15 C20 115.4(6) . . ?
C17 C16 C15 120.0(6) . . ?
C16 C17 C18 123.5(7) . . ?
C19 C18 C17 118.7(7) . . ?
C18 C19 C20 119.1(6) . . ?
C21 C20 C19 114.8(5) . . ?
C21 C20 C15 121.8(5) . . ?
C19 C20 C15 123.4(6) . . ?
N5 C21 O2 109.2(5) . . ?
N5 C21 C20 126.4(5) . . ?
O2 C21 C20 124.4(5) . . ?
N6 C22 O2 110.3(4) . . ?
N6 C22 C23 127.7(5) . . ?
O2 C22 C23 121.8(5) . . ?
C24 C23 C28 120.5(5) . . ?
C24 C23 C22 119.6(5) . . ?
C28 C23 C22 119.7(5) . . ?
C25 C24 C23 121.4(6) . . ?
C26 C25 C24 118.8(6) . . ?
C25 C26 C27 121.2(6) . . ?
C26 C27 C28 121.2(6) . . ?
C27 C28 C23 116.5(5) . . ?
C27 C28 N7 122.2(5) . . ?
C23 C28 N7 121.3(4) . . ?
O3 C29 N7 127.7(6) . . ?
O3 C29 C30 119.6(6) . . ?
N7 C29 C30 112.7(5) . . ?
N8 C30 C29 111.8(5) . . ?
C32 C31 N8 112.8(6) . . ?
N9 C32 C33 121.8(6) . . ?
N9 C32 C31 115.4(6) . . ?
C33 C32 C31 122.8(6) . . ?
C32 C33 C34 121.5(7) . . ?
C35 C34 C33 114.8(6) . . ?
C36 C35 C34 122.5(7) . . ?
C35 C36 N9 121.3(6) . . ?
N5' Co3 N4' 90.7(2) . . ?
N5' Co3 O4' 87.40(19) . . ?
N4' Co3 O4' 177.5(2) . . ?
N5' Co3 N1' 95.2(2) . . ?
N4' Co3 N1' 89.7(2) . . ?
O4' Co3 N1' 92.1(2) . . ?
N5' Co3 N3' 178.2(2) . . ?
N4' Co3 N3' 90.3(2) . . ?
O4' Co3 N3' 91.7(2) . . ?
N1' Co3 N3' 83.3(2) . . ?
N5' Co3 N2' 97.4(2) . . ?
N4' Co3 N2' 88.3(2) . . ?
O4' Co3 N2' 90.3(2) . . ?
N1' Co3 N2' 167.27(19) . . ?
N3' Co3 N2' 84.2(2) . . ?
N6' Co4 N7' 90.1(2) . . ?
N6' Co4 N10' 90.0(2) . . ?
N7' Co4 N10' 91.0(2) . . ?
N6' Co4 N8' 174.9(2) . . ?
N7' Co4 N8' 85.0(2) . . ?
N10' Co4 N8' 88.9(2) . . ?
N6' Co4 N9' 94.6(2) . . ?
N7' Co4 N9' 91.7(2) . . ?
N10' Co4 N9' 174.7(2) . . ?
N8' Co4 N9' 86.8(2) . . ?
N6' Co4 O4' 87.94(18) . . ?
N7' Co4 O4' 177.0(2) . . ?
N10' Co4 O4' 86.8(2) . . ?
N8' Co4 O4' 96.9(2) . . ?
N9' Co4 O4' 90.7(2) . . ?
N3' C1' C2' 108.3(6) . . ?
N1' C2' C3' 121.8(6) . . ?
N1' C2' C1' 112.6(5) . . ?
C3' C2' C1' 125.6(6) . . ?
C4' C3' C2' 118.8(6) . . ?
C5' C4' C3' 118.8(7) . . ?
C4' C5' C6' 122.5(8) . . ?
N1' C6' C5' 119.6(6) . . ?
N3' C7' C8' 108.2(6) . . ?
N2' C8' C9' 121.4(6) . . ?
N2' C8' C7' 114.2(6) . . ?
C9' C8' C7' 124.3(6) . . ?
C8' C9' C10' 118.9(6) . . ?
C11' C10' C9' 118.9(6) . . ?
C10' C11' C12' 120.0(7) . . ?
N2' C12' C11' 120.9(6) . . ?
N3' C13' C14' 114.1(5) . . ?
O1' C14' N4' 127.6(8) . . ?
O1' C14' C13' 117.3(6) . . ?
N4' C14' C13' 115.0(6) . . ?
C16' C15' C20' 116.8(7) . . ?
C16' C15' N4' 122.4(6) . . ?
C20' C15' N4' 120.7(6) . . ?
C15' C16' C17' 121.2(7) . . ?
C16' C17' C18' 123.0(8) . . ?
C19' C18' C17' 117.0(8) . . ?
C18' C19' C20' 120.2(7) . . ?
C15' C20' C21' 123.5(6) . . ?
C15' C20' C19' 121.7(6) . . ?
C21' C20' C19' 114.7(6) . . ?
N5' C21' O2' 111.2(5) . . ?
N5' C21' C20' 125.4(5) . . ?
O2' C21' C20' 123.3(6) . . ?
N6' C22' O2' 110.0(5) . . ?
N6' C22' C23' 126.1(6) . . ?
O2' C22' C23' 123.9(5) . . ?
C28' C23' C24' 121.3(5) . . ?
C28' C23' C22' 122.1(5) . . ?
C24' C23' C22' 116.7(6) . . ?
C25' C24' C23' 118.9(7) . . ?
C26' C25' C24' 119.8(6) . . ?
C25' C26' C27' 120.0(6) . . ?
C26' C27' C28' 122.8(7) . . ?
C23' C28' C27' 117.2(6) . . ?
C23' C28' N7' 120.6(5) . . ?
C27' C28' N7' 122.2(6) . . ?
O3' C29' N7' 125.5(7) . . ?
O3' C29' C30' 121.4(7) . . ?
N7' C29' C30' 113.1(5) . . ?
N8' C30' C29' 111.7(6) . . ?
C32' C31' N8' 114.9(6) . . ?
N9' C32' C33' 119.8(7) . . ?
N9' C32' C31' 115.6(6) . . ?
C33' C32' C31' 124.5(7) . . ?
C34' C33' C32' 119.6(7) . . ?
C35' C34' C33' 121.2(7) . . ?
C34' C35' C36' 117.7(7) . . ?
N9' C36' C35' 121.9(6) . . ?
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 N5 1.873(5) . ?
Co1 N4 1.916(5) . ?
Co1 O4 1.921(5) . ?
Co1 N3 1.927(5) . ?
Co1 N2 1.932(5) . ?
Co1 N1 1.949(5) . ?
Co2 N6 1.837(5) . ?
Co2 N8 1.921(6) . ?
Co2 N10 1.930(5) . ?
Co2 N7 1.931(5) . ?
Co2 N9 1.965(5) . ?
Co2 O4 1.964(4) . ?
P1 F2 1.552(7) . ?
P1 F6 1.571(5) . ?
P1 F3 1.578(6) . ?
P1 F1 1.584(7) . ?
P1 F5 1.587(6) . ?
P1 F4 1.604(6) . ?
P2 F7 1.516(7) . ?
P2 F8 1.550(6) . ?
P2 F9 1.586(7) . ?
P2 F11 1.590(6) . ?
P2 F10 1.593(6) . ?
P2 F12 1.598(5) . ?
P1' F6' 1.439(8) . ?
P1' F2' 1.452(7) . ?
P1' F5' 1.491(7) . ?
P1' F4' 1.498(8) . ?
P1' F1' 1.540(8) . ?
P1' F3' 1.552(6) . ?
P2' F8' 1.536(7) . ?
P2' F8' 1.536(7) 3_665 ?
P2' F7' 1.549(6) . ?
P2' F7' 1.549(6) 3_665 ?
P2' F9' 1.560(5) . ?
P2' F9' 1.560(5) 3_665 ?
O1 C14 1.195(9) . ?
O2 C22 1.341(7) . ?
O2 C21 1.368(6) . ?
O3 C29 1.232(7) . ?
O1' C14' 1.223(9) . ?
O2' C22' 1.351(7) . ?
O2' C21' 1.358(6) . ?
O3' C29' 1.242(7) . ?
O4' Co3 1.923(5) . ?
O4' Co4 1.957(4) . ?
N1 C6 1.343(7) . ?
N1 C2 1.351(7) . ?
N2 C8 1.343(7) . ?
N2 C12 1.375(8) . ?
N3 C1 1.472(8) . ?
N3 C13 1.485(8) . ?
N3 C7 1.500(8) . ?
N4 C14 1.374(7) . ?
N4 C15 1.386(8) . ?
N5 C21 1.306(7) . ?
N5 N6 1.370(6) . ?
N6 C22 1.295(6) . ?
N7 C29 1.350(8) . ?
N7 C28 1.414(7) . ?
N8 C37 1.483(8) . ?
N8 C30 1.492(7) . ?
N8 C31 1.526(9) . ?
N9 C32 1.317(8) . ?
N9 C36 1.372(7) . ?
N10 N11 1.199(6) . ?
N11 N12 1.160(7) . ?
N1' C2' 1.345(7) . ?
N1' C6' 1.346(8) . ?
N1' Co3 1.930(5) . ?
N2' C12' 1.344(8) . ?
N2' C8' 1.349(8) . ?
N2' Co3 1.946(6) . ?
N3' C13' 1.461(9) . ?
N3' C1' 1.474(9) . ?
N3' C7' 1.501(9) . ?
N3' Co3 1.931(5) . ?
N4' C14' 1.361(8) . ?
N4' C15' 1.433(9) . ?
N4' Co3 1.902(6) . ?
N5' C21' 1.268(8) . ?
N5' N6' 1.378(6) . ?
N5' Co3 1.895(5) . ?
N6' C22' 1.292(6) . ?
N6' Co4 1.849(5) . ?
N7' C29' 1.348(8) . ?
N7' C28' 1.421(8) . ?
N7' Co4 1.929(5) . ?
N8' C30' 1.476(8) . ?
N8' C37' 1.488(9) . ?
N8' C31' 1.501(9) . ?
N8' Co4 1.939(6) . ?
N9' C36' 1.327(8) . ?
N9' C32' 1.331(8) . ?
N9' Co4 1.957(5) . ?
N10' N11' 1.210(7) . ?
N10' Co4 1.935(5) . ?
N11' N12' 1.146(7) . ?
C1 C2 1.498(9) . ?
C2 C3 1.372(9) . ?
C3 C4 1.364(10) . ?
C4 C5 1.379(10) . ?
C5 C6 1.396(8) . ?
C7 C8 1.530(9) . ?
C8 C9 1.363(9) . ?
C9 C10 1.350(10) . ?
C10 C11 1.443(9) . ?
C11 C12 1.267(9) . ?
C13 C14 1.486(10) . ?
C15 C16 1.399(9) . ?
C15 C20 1.412(7) . ?
C16 C17 1.371(10) . ?
C17 C18 1.372(10) . ?
C18 C19 1.355(9) . ?
C19 C20 1.392(9) . ?
C20 C21 1.391(8) . ?
C22 C23 1.435(7) . ?
C23 C24 1.391(8) . ?
C23 C28 1.407(8) . ?
C24 C25 1.377(8) . ?
C25 C26 1.356(9) . ?
C26 C27 1.392(8) . ?
C27 C28 1.406(7) . ?
C29 C30 1.499(8) . ?
C31 C32 1.480(10) . ?
C32 C33 1.358(9) . ?
C33 C34 1.386(10) . ?
C34 C35 1.385(10) . ?
C35 C36 1.319(9) . ?
C1' C2' 1.502(9) . ?
C2' C3' 1.373(9) . ?
C3' C4' 1.362(9) . ?
C4' C5' 1.318(10) . ?
C5' C6' 1.365(9) . ?
C7' C8' 1.507(9) . ?
C8' C9' 1.386(9) . ?
C9' C10' 1.392(10) . ?
C10' C11' 1.373(10) . ?
C11' C12' 1.386(9) . ?
C13' C14' 1.490(11) . ?
C15' C16' 1.359(9) . ?
C15' C20' 1.396(8) . ?
C16' C17' 1.370(11) . ?
C17' C18' 1.386(12) . ?
C18' C19' 1.362(11) . ?
C19' C20' 1.410(10) . ?
C20' C21' 1.408(9) . ?
C22' C23' 1.426(8) . ?
C23' C28' 1.364(9) . ?
C23' C24' 1.421(8) . ?
C24' C25' 1.395(8) . ?
C25' C26' 1.360(11) . ?
C26' C27' 1.372(10) . ?
C27' C28' 1.392(8) . ?
C29' C30' 1.509(10) . ?
C31' C32' 1.460(10) . ?
C32' C33' 1.414(10) . ?
C33' C34' 1.340(10) . ?
C34' C35' 1.337(10) . ?
C35' C36' 1.417(9) . ?
