#------------------------------------------------------------------------------
#$Date: 2016-03-26 12:50:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180216 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/02/7110295.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_7110295
loop_
_publ_author_name
'Harvey, John D.'
'Ziegler, Christopher J.'
_publ_section_title
;
 Dianionic and trianionic macrocycles in cobalt N-confused porphyrin
 complexesElectronic supplementary information (ESI) available: Absorption
 spectra for 1, 2 and 4. See http://www.rsc.org/suppdata/cc/b4/b404261a/
;
_journal_issue                   14
_journal_name_full               'Chemical Communications'
_journal_page_first              1666
_journal_page_last               1667
_journal_paper_doi               10.1039/b404261a
_journal_year                    2004
_chemical_formula_sum            'C64 H47 Cl4 Co2 N7 O9 P'
_chemical_formula_weight         1348.72
_chemical_name_common
;(2-aza-21-carba-5,10,15,20-
tetraphenylporphyrinato)Cobalt(iii) PPh3
;
_chemical_name_systematic
;
(2-aza-21-carba-5,10,15,20-tetraphenylporphyrinato)Cobalt(III) PPh3
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.296(4)
_cell_angle_beta                 102.294(4)
_cell_angle_gamma                109.626(4)
_cell_formula_units_Z            2
_cell_length_a                   12.103(3)
_cell_length_b                   16.031(4)
_cell_length_c                   16.390(4)
_cell_measurement_reflns_used    5781
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.16
_cell_measurement_theta_min      2.47
_cell_volume                     2911.3(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0417
_diffrn_reflns_av_sigmaI/netI    0.0713
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            22525
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.36
_exptl_absorpt_coefficient_mu    0.848
_exptl_absorpt_correction_T_max  0.9353
_exptl_absorpt_correction_T_min  0.5574
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1378
_exptl_crystal_size_max          1.60
_exptl_crystal_size_mid          0.47
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.904
_refine_diff_density_min         -0.971
_refine_diff_density_rms         0.115
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.061
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     757
_refine_ls_number_reflns         11319
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0640
_refine_ls_shift/su_max          0.169
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0997P)²+3.2192P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1743
_refine_ls_wR_factor_ref         0.1814
_reflns_number_gt                9395
_reflns_number_total             11319
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b404261asup1.cif
_cod_data_source_block           Co(NCTPP)(PPH3)Co(NO3)3(CH2Cl2)2
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2911.2(12)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7110295
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
C1 C 0.2680(3) 0.7337(2) 0.1610(2) 0.0229(6) Uani 1 1 d .
C2 C 0.1411(3) 0.6852(2) 0.1325(2) 0.0264(7) Uani 1 1 d .
H2 H 0.0910 0.6498 0.1636 0.032 Uiso 1 1 calc R
C3 C 0.1086(3) 0.7005(2) 0.0523(2) 0.0264(7) Uani 1 1 d .
H3 H 0.0315 0.6776 0.0175 0.032 Uiso 1 1 calc R
C4 C 0.2141(3) 0.7583(2) 0.0305(2) 0.0218(6) Uani 1 1 d .
C5 C 0.2123(3) 0.8001(2) -0.0435(2) 0.0211(6) Uani 1 1 d .
C6 C 0.3163(3) 0.85281(19) -0.0648(2) 0.0207(6) Uani 1 1 d .
C7 C 0.3199(3) 0.8984(2) -0.1392(2) 0.0237(6) Uani 1 1 d .
H7 H 0.2547 0.9059 -0.1759 0.028 Uiso 1 1 calc R
C8 C 0.4351(3) 0.9280(2) -0.1458(2) 0.0238(6) Uani 1 1 d .
H8 H 0.4645 0.9583 -0.1888 0.029 Uiso 1 1 calc R
C9 C 0.5038(3) 0.90387(19) -0.0735(2) 0.0204(6) Uani 1 1 d .
C10 C 0.6275(3) 0.92192(19) -0.0591(2) 0.0200(6) Uani 1 1 d .
C11 C 0.6970(3) 0.91685(19) 0.0188(2) 0.0206(6) Uani 1 1 d .
C12 C 0.8268(3) 0.9486(2) 0.0392(2) 0.0225(6) Uani 1 1 d .
H12 H 0.8763 0.9673 0.0020 0.027 Uiso 1 1 calc R
C13 C 0.8631(3) 0.9461(2) 0.1220(2) 0.0231(6) Uani 1 1 d .
H13 H 0.9425 0.9647 0.1532 0.028 Uiso 1 1 calc R
C14 C 0.7578(3) 0.90981(19) 0.1534(2) 0.0209(6) Uani 1 1 d .
C15 C 0.7589(3) 0.8950(2) 0.2363(2) 0.0225(6) Uani 1 1 d .
C16 C 0.6499(3) 0.8512(2) 0.2586(2) 0.0257(7) Uani 1 1 d .
C17 C 0.5320(3) 0.8160(2) 0.2052(2) 0.0225(6) Uani 1 1 d .
C18 C 0.5269(3) 0.8015(2) 0.3433(2) 0.0255(7) Uani 1 1 d .
H18 H 0.4977 0.7874 0.3912 0.031 Uiso 1 1 calc R
C19 C 0.4570(3) 0.7841(2) 0.2612(2) 0.0264(7) Uani 1 1 d .
C20 C 0.3318(3) 0.7421(2) 0.2426(2) 0.0235(6) Uani 1 1 d .
C21 C 0.0932(3) 0.7879(2) -0.1012(2) 0.0218(6) Uani 1 1 d .
C22 C 0.0662(3) 0.7524(2) -0.1833(2) 0.0290(7) Uani 1 1 d .
H22 H 0.1227 0.7351 -0.2030 0.035 Uiso 1 1 calc R
C23 C -0.0438(3) 0.7419(3) -0.2372(2) 0.0359(8) Uani 1 1 d .
H23 H -0.0609 0.7170 -0.2923 0.043 Uiso 1 1 calc R
C24 C -0.1282(3) 0.7683(2) -0.2093(2) 0.0343(8) Uani 1 1 d .
H24 H -0.2013 0.7624 -0.2457 0.041 Uiso 1 1 calc R
C25 C -0.1030(3) 0.8035(2) -0.1268(2) 0.0300(7) Uani 1 1 d .
H25 H -0.1598 0.8207 -0.1075 0.036 Uiso 1 1 calc R
C26 C 0.0065(3) 0.8133(2) -0.0726(2) 0.0254(7) Uani 1 1 d .
H26 H 0.0225 0.8367 -0.0172 0.030 Uiso 1 1 calc R
C27 C 0.6876(3) 0.9565(2) -0.1279(2) 0.0215(6) Uani 1 1 d .
C28 C 0.6638(3) 0.9032(2) -0.2021(2) 0.0265(7) Uani 1 1 d .
H28 H 0.6111 0.8446 -0.2088 0.032 Uiso 1 1 calc R
C29 C 0.7183(3) 0.9372(2) -0.2659(2) 0.0324(8) Uani 1 1 d .
H29 H 0.7019 0.9013 -0.3155 0.039 Uiso 1 1 calc R
C30 C 0.7971(3) 1.0244(2) -0.2568(2) 0.0310(7) Uani 1 1 d .
H30 H 0.8334 1.0471 -0.3001 0.037 Uiso 1 1 calc R
C31 C 0.8209(3) 1.0768(2) -0.1831(2) 0.0276(7) Uani 1 1 d .
H31 H 0.8742 1.1352 -0.1764 0.033 Uiso 1 1 calc R
C32 C 0.7669(3) 1.0437(2) -0.1193(2) 0.0240(6) Uani 1 1 d .
H32 H 0.7835 1.0800 -0.0699 0.029 Uiso 1 1 calc R
C33 C 0.8735(3) 0.9280(2) 0.3022(2) 0.0248(7) Uani 1 1 d .
C34 C 0.9103(3) 0.8701(2) 0.3549(2) 0.0283(7) Uani 1 1 d .
H34 H 0.8659 0.8094 0.3466 0.034 Uiso 1 1 calc R
C35 C 1.0126(3) 0.9032(3) 0.4192(2) 0.0325(8) Uani 1 1 d .
H35 H 1.0359 0.8646 0.4547 0.039 Uiso 1 1 calc R
C36 C 1.0806(3) 0.9925(3) 0.4316(2) 0.0345(8) Uani 1 1 d .
H36 H 1.1497 1.0139 0.4750 0.041 Uiso 1 1 calc R
C37 C 1.0460(3) 1.0504(2) 0.3793(2) 0.0320(8) Uani 1 1 d .
H37 H 1.0918 1.1108 0.3876 0.038 Uiso 1 1 calc R
C38 C 0.9437(3) 1.0187(2) 0.3149(2) 0.0277(7) Uani 1 1 d .
H38 H 0.9212 1.0579 0.2797 0.033 Uiso 1 1 calc R
C39 C 0.2697(3) 0.7075(2) 0.3107(2) 0.0257(7) Uani 1 1 d .
C40 C 0.3033(3) 0.6480(2) 0.3612(2) 0.0276(7) Uani 1 1 d .
H40 H 0.3625 0.6270 0.3511 0.033 Uiso 1 1 calc R
C41 C 0.2493(3) 0.6197(2) 0.4268(2) 0.0313(7) Uani 1 1 d .
H41 H 0.2734 0.5805 0.4611 0.038 Uiso 1 1 calc R
C42 C 0.1600(3) 0.6492(2) 0.4419(2) 0.0342(8) Uani 1 1 d .
H42 H 0.1245 0.6304 0.4865 0.041 Uiso 1 1 calc R
C43 C 0.1236(4) 0.7069(3) 0.3903(3) 0.0385(9) Uani 1 1 d .
H43 H 0.0620 0.7258 0.3993 0.046 Uiso 1 1 calc R
C44 C 0.1786(3) 0.7364(2) 0.3257(2) 0.0337(8) Uani 1 1 d .
H44 H 0.1547 0.7760 0.2918 0.040 Uiso 1 1 calc R
C45 C 0.3681(3) 0.59623(19) 0.0668(2) 0.0219(6) Uani 1 1 d .
C46 C 0.3555(3) 0.5798(2) 0.1480(2) 0.0239(6) Uani 1 1 d .
H46 H 0.4115 0.6173 0.1934 0.029 Uiso 1 1 calc R
C47 C 0.2614(3) 0.5089(2) 0.1621(2) 0.0286(7) Uani 1 1 d .
H47 H 0.2548 0.4983 0.2167 0.034 Uiso 1 1 calc R
C48 C 0.1767(3) 0.4536(2) 0.0950(2) 0.0342(8) Uani 1 1 d .
H48 H 0.1121 0.4064 0.1042 0.041 Uiso 1 1 calc R
C49 C 0.1885(3) 0.4687(2) 0.0142(2) 0.0362(8) Uani 1 1 d .
H49 H 0.1317 0.4312 -0.0309 0.043 Uiso 1 1 calc R
C50 C 0.2841(3) 0.5391(2) -0.0008(2) 0.0293(7) Uani 1 1 d .
H50 H 0.2921 0.5482 -0.0554 0.035 Uiso 1 1 calc R
C51 C 0.4898(3) 0.6759(2) -0.0606(2) 0.0214(6) Uani 1 1 d .
C52 C 0.5750(3) 0.6502(2) -0.0905(2) 0.0255(7) Uani 1 1 d .
H52 H 0.6380 0.6410 -0.0528 0.031 Uiso 1 1 calc R
C53 C 0.5659(3) 0.6385(2) -0.1761(2) 0.0285(7) Uani 1 1 d .
H53 H 0.6236 0.6226 -0.1955 0.034 Uiso 1 1 calc R
C54 C 0.4714(3) 0.6504(2) -0.2327(2) 0.0299(7) Uani 1 1 d .
H54 H 0.4654 0.6423 -0.2901 0.036 Uiso 1 1 calc R
C55 C 0.3857(3) 0.6743(2) -0.2041(2) 0.0284(7) Uani 1 1 d .
H55 H 0.3216 0.6818 -0.2423 0.034 Uiso 1 1 calc R
C56 C 0.3948(3) 0.6872(2) -0.1192(2) 0.0252(7) Uani 1 1 d .
H56 H 0.3369 0.7037 -0.1006 0.030 Uiso 1 1 calc R
C57 C 0.6298(3) 0.6713(2) 0.1050(2) 0.0223(6) Uani 1 1 d .
C58 C 0.7412(3) 0.7270(2) 0.0951(2) 0.0247(7) Uani 1 1 d .
H58 H 0.7450 0.7708 0.0585 0.030 Uiso 1 1 calc R
C59 C 0.8466(3) 0.7175(2) 0.1394(2) 0.0301(7) Uani 1 1 d .
H59 H 0.9208 0.7552 0.1327 0.036 Uiso 1 1 calc R
C60 C 0.8422(3) 0.6523(2) 0.1935(2) 0.0336(8) Uani 1 1 d .
H60 H 0.9130 0.6472 0.2247 0.040 Uiso 1 1 calc R
C61 C 0.7321(3) 0.5949(3) 0.2010(2) 0.0342(8) Uani 1 1 d .
H61 H 0.7289 0.5499 0.2361 0.041 Uiso 1 1 calc R
C62 C 0.6262(3) 0.6032(2) 0.1570(2) 0.0295(7) Uani 1 1 d .
H62 H 0.5524 0.5633 0.1620 0.035 Uiso 1 1 calc R
C63 C 0.9448(4) 0.4448(3) 0.3464(3) 0.0561(12) Uani 1 1 d .
H63A H 0.9139 0.3805 0.3459 0.067 Uiso 1 1 calc R
H63B H 1.0235 0.4671 0.3850 0.067 Uiso 1 1 calc R
Cl1 Cl 0.84909(11) 0.48834(8) 0.38165(7) 0.0552(3) Uani 1 1 d .
Cl2 Cl 0.96031(14) 0.47261(8) 0.24363(12) 0.0751(4) Uani 1 1 d .
Co1 Co 0.48407(3) 0.82177(2) 0.08787(2) 0.01764(13) Uani 1 1 d .
Co2 Co 0.35487(5) 0.39321(4) 0.46362(3) 0.03796(16) Uani 1 1 d .
N1 N 0.3145(2) 0.77492(16) 0.09609(16) 0.0201(5) Uani 1 1 d .
N2 N 0.4321(2) 0.86117(16) -0.02219(16) 0.0200(5) Uani 1 1 d .
N3 N 0.6540(2) 0.89006(16) 0.08877(16) 0.0197(5) Uani 1 1 d .
N4 N 0.6408(3) 0.8413(2) 0.3420(2) 0.0437(8) Uani 1 1 d .
H4 H 0.7003 0.8585 0.3854 0.052 Uiso 1 1 calc R
N5 N 0.1354(3) 0.3312(3) 0.4733(2) 0.0450(8) Uani 1 1 d .
N6 N 0.3994(4) 0.2519(2) 0.4549(2) 0.0556(11) Uani 1 1 d .
N7 N 0.5066(3) 0.5081(2) 0.3797(2) 0.0402(8) Uani 1 1 d .
O1 O 0.1792(3) 0.3876(2) 0.42330(19) 0.0473(7) Uani 1 1 d .
O2 O 0.2117(4) 0.3130(3) 0.5250(3) 0.0852(14) Uani 1 1 d .
O3 O 0.0273(3) 0.3011(2) 0.4680(2) 0.0608(9) Uani 1 1 d .
O4 O 0.4473(3) 0.31475(19) 0.51492(17) 0.0445(7) Uani 1 1 d .
O5 O 0.3342(4) 0.2676(2) 0.3927(2) 0.0630(10) Uani 1 1 d .
O6 O 0.4221(5) 0.1836(3) 0.4628(3) 0.0959(17) Uani 1 1 d .
O7 O 0.4264(4) 0.5016(2) 0.5540(2) 0.0648(10) Uani 1 1 d .
O8 O 0.3973(3) 0.4605(2) 0.3632(2) 0.0528(8) Uani 1 1 d .
O9 O 0.5444(3) 0.5628(2) 0.33191(19) 0.0503(7) Uani 1 1 d .
P1 P 0.49403(7) 0.69092(5) 0.05084(5) 0.01910(18) Uani 1 1 d .
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'
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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
C20 C1 N1 125.3(3) . .
C20 C1 C2 124.1(3) . .
N1 C1 C2 110.5(3) . .
C3 C2 C1 107.0(3) . .
C2 C3 C4 107.3(3) . .
N1 C4 C5 125.2(3) . .
N1 C4 C3 110.8(3) . .
C5 C4 C3 123.7(3) . .
C6 C5 C4 122.4(3) . .
C6 C5 C21 118.9(3) . .
C4 C5 C21 118.7(3) . .
C5 C6 N2 124.5(3) . .
C5 C6 C7 124.9(3) . .
N2 C6 C7 110.2(3) . .
C8 C7 C6 107.2(3) . .
C7 C8 C9 106.5(3) . .
N2 C9 C10 125.2(3) . .
N2 C9 C8 111.4(3) . .
C10 C9 C8 123.5(3) . .
C11 C10 C9 122.5(3) . .
C11 C10 C27 119.6(3) . .
C9 C10 C27 117.6(3) . .
N3 C11 C10 125.7(3) . .
N3 C11 C12 110.4(3) . .
C10 C11 C12 123.6(3) . .
C13 C12 C11 107.2(3) . .
C12 C13 C14 107.3(3) . .
C15 C14 N3 125.1(3) . .
C15 C14 C13 124.3(3) . .
N3 C14 C13 110.6(3) . .
C14 C15 C16 119.3(3) . .
C14 C15 C33 120.8(3) . .
C16 C15 C33 119.8(3) . .
N4 C16 C15 123.2(3) . .
N4 C16 C17 108.7(3) . .
C15 C16 C17 128.0(3) . .
C19 C17 C16 103.6(3) . .
C19 C17 Co1 127.7(2) . .
C16 C17 Co1 128.4(2) . .
N4 C18 C19 108.9(3) . .
C18 C19 C20 122.1(3) . .
C18 C19 C17 109.6(3) . .
C20 C19 C17 128.3(3) . .
C1 C20 C19 118.7(3) . .
C1 C20 C39 121.2(3) . .
C19 C20 C39 120.1(3) . .
C22 C21 C26 118.5(3) . .
C22 C21 C5 121.0(3) . .
C26 C21 C5 120.4(3) . .
C21 C22 C23 121.1(3) . .
C24 C23 C22 120.2(3) . .
C23 C24 C25 119.5(3) . .
C26 C25 C24 120.4(3) . .
C25 C26 C21 120.3(3) . .
C32 C27 C28 119.0(3) . .
C32 C27 C10 120.1(3) . .
C28 C27 C10 121.0(3) . .
C29 C28 C27 120.0(3) . .
C28 C29 C30 120.7(3) . .
C31 C30 C29 119.1(3) . .
C32 C31 C30 120.7(3) . .
C31 C32 C27 120.5(3) . .
C38 C33 C34 118.9(3) . .
C38 C33 C15 120.2(3) . .
C34 C33 C15 120.8(3) . .
C35 C34 C33 119.8(3) . .
C36 C35 C34 121.0(3) . .
C35 C36 C37 119.8(3) . .
C38 C37 C36 120.2(3) . .
C37 C38 C33 120.4(3) . .
C40 C39 C44 118.9(3) . .
C40 C39 C20 120.7(3) . .
C44 C39 C20 120.4(3) . .
C41 C40 C39 120.3(3) . .
C40 C41 C42 120.6(3) . .
C43 C42 C41 119.5(3) . .
C44 C43 C42 120.0(3) . .
C43 C44 C39 120.6(3) . .
C46 C45 C50 119.0(3) . .
C46 C45 P1 119.6(2) . .
C50 C45 P1 121.4(3) . .
C47 C46 C45 121.0(3) . .
C46 C47 C48 119.9(3) . .
C49 C48 C47 119.7(3) . .
C48 C49 C50 120.9(3) . .
C49 C50 C45 119.5(3) . .
C52 C51 C56 118.2(3) . .
C52 C51 P1 123.0(2) . .
C56 C51 P1 118.8(2) . .
C53 C52 C51 120.4(3) . .
C54 C53 C52 120.3(3) . .
C53 C54 C55 120.0(3) . .
C56 C55 C54 120.2(3) . .
C55 C56 C51 121.0(3) . .
C58 C57 C62 118.7(3) . .
C58 C57 P1 118.8(2) . .
C62 C57 P1 122.5(2) . .
C57 C58 C59 120.3(3) . .
C60 C59 C58 120.4(3) . .
C61 C60 C59 119.4(3) . .
C60 C61 C62 120.9(3) . .
C61 C62 C57 120.1(3) . .
Cl1 C63 Cl2 112.3(3) . .
C17 Co1 N2 163.22(12) . .
C17 Co1 N1 88.81(12) . .
N2 Co1 N1 89.32(11) . .
C17 Co1 N3 88.79(12) . .
N2 Co1 N3 89.95(11) . .
N1 Co1 N3 169.24(10) . .
C17 Co1 P1 95.09(10) . .
N2 Co1 P1 101.69(8) . .
N1 Co1 P1 95.80(8) . .
N3 Co1 P1 94.86(8) . .
O4 Co2 O8 120.60(13) . .
O4 Co2 O1 139.13(13) . .
O8 Co2 O1 89.66(13) . .
O4 Co2 O7 100.35(12) . .
O8 Co2 O7 97.63(14) . .
O1 Co2 O7 102.03(14) . .
O4 Co2 O5 59.96(12) . .
O8 Co2 O5 89.45(13) . .
O1 Co2 O5 97.02(13) . .
O7 Co2 O5 159.67(13) . .
O4 Co2 O2 84.92(14) . .
O8 Co2 O2 147.89(15) . .
O1 Co2 O2 59.08(13) . .
O7 Co2 O2 96.16(18) . .
O5 Co2 O2 87.53(18) . .
C4 N1 C1 104.1(2) . .
C4 N1 Co1 126.0(2) . .
C1 N1 Co1 128.4(2) . .
C9 N2 C6 104.4(3) . .
C9 N2 Co1 127.2(2) . .
C6 N2 Co1 128.4(2) . .
C11 N3 C14 104.3(2) . .
C11 N3 Co1 125.1(2) . .
C14 N3 Co1 129.9(2) . .
C18 N4 C16 109.2(3) . .
O3 N5 O2 125.0(4) . .
O3 N5 O1 120.7(4) . .
O2 N5 O1 114.3(4) . .
O6 N6 O5 125.9(4) . .
O6 N6 O4 118.7(4) . .
O5 N6 O4 115.4(3) . .
O9 N7 O8 119.7(3) . .
O9 N7 O7 122.4(4) . 2_666
O8 N7 O7 118.0(4) . 2_666
N5 O1 Co2 96.3(2) . .
N5 O2 Co2 90.0(3) . .
N6 O4 Co2 95.6(2) . .
N6 O5 Co2 88.5(2) . .
N7 O7 Co2 115.5(2) 2_666 .
N7 O8 Co2 110.6(3) . .
C51 P1 C45 104.55(14) . .
C51 P1 C57 105.06(15) . .
C45 P1 C57 105.47(14) . .
C51 P1 Co1 112.19(10) . .
C45 P1 Co1 113.54(10) . .
C57 P1 Co1 115.08(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C20 1.374(5) .
C1 N1 1.386(4) .
C1 C2 1.434(4) .
C2 C3 1.342(5) .
C3 C4 1.426(4) .
C4 N1 1.385(4) .
C4 C5 1.398(5) .
C5 C6 1.381(4) .
C5 C21 1.493(4) .
C6 N2 1.387(4) .
C6 C7 1.436(5) .
C7 C8 1.342(5) .
C8 C9 1.436(4) .
C9 N2 1.366(4) .
C9 C10 1.392(4) .
C10 C11 1.392(4) .
C10 C27 1.489(4) .
C11 N3 1.378(4) .
C11 C12 1.439(4) .
C12 C13 1.340(5) .
C13 C14 1.423(4) .
C14 C15 1.382(5) .
C14 N3 1.397(4) .
C15 C16 1.401(5) .
C15 C33 1.488(4) .
C16 N4 1.402(5) .
C16 C17 1.423(4) .
C17 C19 1.412(5) .
C17 Co1 1.900(3) .
C18 N4 1.316(5) .
C18 C19 1.395(5) .
C19 C20 1.397(5) .
C20 C39 1.490(4) .
C21 C22 1.378(5) .
C21 C26 1.405(4) .
C22 C23 1.387(5) .
C23 C24 1.383(5) .
C24 C25 1.385(5) .
C25 C26 1.385(5) .
C27 C32 1.388(4) .
C27 C28 1.390(5) .
C28 C29 1.379(5) .
C29 C30 1.385(5) .
C30 C31 1.376(5) .
C31 C32 1.374(5) .
C33 C38 1.400(5) .
C33 C34 1.399(5) .
C34 C35 1.380(5) .
C35 C36 1.375(5) .
C36 C37 1.385(5) .
C37 C38 1.378(5) .
C39 C40 1.384(5) .
C39 C44 1.395(5) .
C40 C41 1.382(5) .
C41 C42 1.380(5) .
C42 C43 1.384(5) .
C43 C44 1.379(5) .
C45 C46 1.391(5) .
C45 C50 1.396(5) .
C45 P1 1.825(3) .
C46 C47 1.377(5) .
C47 C48 1.383(5) .
C48 C49 1.380(5) .
C49 C50 1.389(5) .
C51 C52 1.402(4) .
C51 C56 1.398(4) .
C51 P1 1.824(3) .
C52 C53 1.387(5) .
C53 C54 1.381(5) .
C54 C55 1.382(5) .
C55 C56 1.377(5) .
C57 C58 1.391(4) .
C57 C62 1.395(5) .
C57 P1 1.823(3) .
C58 C59 1.386(5) .
C59 C60 1.381(5) .
C60 C61 1.373(5) .
C61 C62 1.380(5) .
C63 Cl1 1.724(5) .
C63 Cl2 1.785(5) .
Co1 N2 1.971(3) .
Co1 N1 1.970(3) .
Co1 N3 1.976(3) .
Co1 P1 2.2195(9) .
Co2 O4 2.033(3) .
Co2 O8 2.050(3) .
Co2 O1 2.058(3) .
Co2 O7 2.072(3) .
Co2 O5 2.213(3) .
Co2 O2 2.229(4) .
N5 O3 1.216(5) .
N5 O2 1.231(5) .
N5 O1 1.291(5) .
N6 O6 1.219(5) .
N6 O5 1.236(5) .
N6 O4 1.280(4) .
N7 O9 1.227(5) .
N7 O8 1.251(5) .
N7 O7 1.257(5) 2_666
O7 N7 1.257(5) 2_666
