#------------------------------------------------------------------------------
#$Date: 2016-01-09 12:20:35 +0200 (Sat, 09 Jan 2016) $
#$Revision: 173739 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/16/7221698.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_7221698
loop_
_publ_author_name
'Zheng, Tao'
'Cai, Zhong-Sheng'
'Nie, Wei-Xuan'
'Ren, Min'
'Bao, Song-Song'
'Zheng, Li-Min'
_publ_section_title
;
 Modulating the microporosity of cobalt phosphonates via positional
 isomerism of co-linkers
;
_journal_issue                   46
_journal_name_full               CrystEngComm
_journal_page_first              8926
_journal_paper_doi               10.1039/C5CE01087J
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety
'2(C46 H40 Co5 N8 O22 P2), 14(H O0.50), 2(H2 O)'
_chemical_formula_sum            'C92 H110 Co10 N16 O59 P4'
_chemical_formula_weight         3097.13
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           7
_space_group_name_Hall           'P -2yc'
_space_group_name_H-M_alt        'P 1 c 1'
_symmetry_space_group_name_Hall  'P -2yc'
_symmetry_space_group_name_H-M   'P 1 c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2015-06-04 deposited with the CCDC.
2015-07-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 107.486(2)
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.1032(8)
_cell_length_b                   9.2299(7)
_cell_length_c                   31.773(3)
_cell_measurement_reflns_used    6552
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.298
_cell_measurement_theta_min      2.206
_cell_volume                     2826.0(4)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX CCD'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0407
_diffrn_reflns_av_unetI/netI     0.0554
_diffrn_reflns_laue_measured_fraction_full 0.999
_diffrn_reflns_laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            22316
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_min         1.344
_exptl_absorpt_coefficient_mu    1.596
_exptl_absorpt_correction_T_max  0.857
_exptl_absorpt_correction_T_min  0.826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS, Bruker(2000)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.820
_exptl_crystal_description       lamellar
_exptl_crystal_F_000             1576
_exptl_crystal_size_max          0.300
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.092
_refine_diff_density_min         -0.556
_refine_diff_density_rms         0.103
_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.49(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     824
_refine_ls_number_reflns         10808
_refine_ls_number_restraints     155
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0403
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0402P)²+6.0557P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0863
_refine_ls_wR_factor_ref         0.0965
_reflns_Friedel_coverage         0.998
_reflns_friedel_fraction_full    0.999
_reflns_friedel_fraction_max     0.999
_reflns_number_gt                9146
_reflns_number_total             10808
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c5ce01087j2.cif
_cod_data_source_block           a
_cod_depositor_comments
'Adding full bibliography for 7221696--7221699.cif.'
_cod_database_code               7221698
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.646
_shelx_estimated_absorpt_t_max   0.857
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, 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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Co4 Co 0.09958(12) -0.09649(12) 0.21953(3) 0.0139(3) Uani 1 1 d . . .
Co5 Co 0.67981(11) 0.15545(12) 1.09389(4) 0.0133(3) Uani 1 1 d . . .
Co1 Co 1.11460(16) 0.01311(12) 0.62488(5) 0.0102(2) Uani 1 1 d . . .
Co3 Co 0.54788(11) 0.17972(12) 0.65698(4) 0.0130(3) Uani 1 1 d . . .
Co2 Co 0.13184(11) -0.07046(12) 0.52967(3) 0.0129(3) Uani 1 1 d . . .
P1 P 0.8289(2) 0.1315(2) 0.62781(7) 0.0117(5) Uani 1 1 d . . .
P2 P 0.3998(2) -0.1059(2) 0.62170(7) 0.0110(5) Uani 1 1 d . . .
C1 C 0.8712(9) 0.3015(9) 0.6074(3) 0.0120(15) Uani 1 1 d . U .
C2 C 0.9253(10) 0.3232(9) 0.5720(3) 0.0122(14) Uani 1 1 d . U .
C3 C 0.9627(9) 0.4631(9) 0.5631(3) 0.0128(15) Uani 1 1 d . U .
H3 H 0.9938 0.4783 0.5381 0.015 Uiso 1 1 calc R U .
C4 C 0.9560(10) 0.5802(9) 0.5896(3) 0.0132(14) Uani 1 1 d . U .
C5 C 0.9056(9) 0.5584(9) 0.6253(3) 0.0127(14) Uani 1 1 d . U .
C6 C 0.8618(9) 0.4225(9) 0.6332(3) 0.0126(15) Uani 1 1 d . U .
H6 H 0.8239 0.4101 0.6569 0.015 Uiso 1 1 calc R U .
C7 C 0.9467(10) 0.2009(9) 0.5430(3) 0.0147(17) Uani 1 1 d . U .
C8 C 1.0080(9) 0.7261(9) 0.5812(3) 0.0136(17) Uani 1 1 d . U .
C9 C 0.8948(10) 0.6719(9) 0.6589(3) 0.0150(17) Uani 1 1 d . U .
C10 C 0.3566(9) -0.2764(9) 0.6415(3) 0.0121(15) Uani 1 1 d . U .
C11 C 0.3025(9) -0.2966(9) 0.6771(3) 0.0102(14) Uani 1 1 d . U .
C12 C 0.2630(9) -0.4328(8) 0.6864(3) 0.0103(14) Uani 1 1 d . U .
H12 H 0.2317 -0.4458 0.7115 0.012 Uiso 1 1 calc R U .
C13 C 0.2679(9) -0.5518(9) 0.6600(3) 0.0110(14) Uani 1 1 d . U .
C14 C 0.3214(9) -0.5320(9) 0.6241(3) 0.0114(14) Uani 1 1 d . U .
C15 C 0.3667(9) -0.3960(9) 0.6160(3) 0.0125(15) Uani 1 1 d . U .
H15 H 0.4056 -0.3842 0.5925 0.015 Uiso 1 1 calc R U .
C16 C 0.2841(10) -0.1739(8) 0.7069(3) 0.0115(16) Uani 1 1 d . U .
C17 C 0.2181(9) -0.6987(9) 0.6681(3) 0.0119(16) Uani 1 1 d . U .
C18 C 0.3353(10) -0.6477(8) 0.5921(3) 0.0123(18) Uani 1 1 d . . .
C19 C 0.5079(9) 0.2979(10) 0.7411(3) 0.0200(19) Uani 1 1 d . . .
H19 H 0.4677 0.2126 0.7487 0.024 Uiso 1 1 calc R U .
C20 C 0.6123(10) 0.4492(9) 0.7105(3) 0.0186(19) Uani 1 1 d . . .
H20 H 0.6597 0.4877 0.6914 0.022 Uiso 1 1 calc R U .
C21 C 0.5840(9) 0.5227(10) 0.7429(3) 0.0236(19) Uani 1 1 d . . .
H21 H 0.6056 0.6211 0.7508 0.028 Uiso 1 1 calc R U .
C22 C 0.4593(10) 0.4604(12) 0.7988(3) 0.034(2) Uani 1 1 d . . .
H22A H 0.4077 0.3755 0.8047 0.041 Uiso 1 1 calc R U .
H22B H 0.3934 0.5423 0.7901 0.041 Uiso 1 1 calc R U .
C23 C 0.5733(10) 0.4998(10) 0.8402(3) 0.026(2) Uani 1 1 d . . .
C24 C 0.6265(14) 0.3976(9) 0.8722(4) 0.027(2) Uani 1 1 d . . .
H24 H 0.5888 0.3025 0.8689 0.032 Uiso 1 1 calc R U .
C25 C 0.7352(10) 0.4325(11) 0.9095(3) 0.029(2) Uani 1 1 d . . .
C26 C 0.7886(10) 0.5699(11) 0.9148(3) 0.033(2) Uani 1 1 d . . .
H26 H 0.8633 0.5936 0.9402 0.040 Uiso 1 1 calc R U .
C27 C 0.7336(11) 0.6739(11) 0.8833(3) 0.036(2) Uani 1 1 d . . .
H27 H 0.7706 0.7693 0.8873 0.043 Uiso 1 1 calc R U .
C28 C 0.6257(11) 0.6418(11) 0.8458(3) 0.033(2) Uani 1 1 d . . .
H28 H 0.5878 0.7143 0.8244 0.040 Uiso 1 1 calc R U .
C29 C 0.7926(10) 0.3215(12) 0.9453(3) 0.035(2) Uani 1 1 d . . .
H29A H 0.7804 0.2233 0.9322 0.043 Uiso 1 1 calc R U .
H29B H 0.8932 0.3384 0.9589 0.043 Uiso 1 1 calc R U .
C30 C 0.7256(10) 0.2214(11) 1.0084(3) 0.024(2) Uani 1 1 d . . .
H30 H 0.7639 0.1279 1.0074 0.029 Uiso 1 1 calc R U .
C31 C 0.6599(10) 0.4458(11) 0.9922(3) 0.026(2) Uani 1 1 d . . .
H31 H 0.6430 0.5379 0.9783 0.031 Uiso 1 1 calc R U .
C32 C 0.6266(11) 0.4041(10) 1.0288(3) 0.028(2) Uani 1 1 d . . .
H32 H 0.5818 0.4634 1.0448 0.034 Uiso 1 1 calc R U .
C33 C 0.0028(12) -0.3700(10) 0.2578(3) 0.025(2) Uani 1 1 d . . .
H33 H 0.0442 -0.4311 0.2412 0.030 Uiso 1 1 calc R U .
C34 C -0.0675(14) -0.1817(12) 0.2850(4) 0.035(3) Uani 1 1 d . . .
H34 H -0.0845 -0.0836 0.2908 0.042 Uiso 1 1 calc R U .
C35 C -0.1032(13) -0.2999(12) 0.3054(4) 0.037(3) Uani 1 1 d . . .
H35 H -0.1497 -0.3001 0.3273 0.045 Uiso 1 1 calc R U .
C36 C -0.0613(11) -0.5674(11) 0.3021(4) 0.029(2) Uani 1 1 d . . .
H36A H -0.0820 -0.6328 0.2762 0.035 Uiso 1 1 calc R U .
H36B H -0.1363 -0.5783 0.3160 0.035 Uiso 1 1 calc R U .
C37 C 0.0747(9) -0.6104(9) 0.3346(3) 0.0235(19) Uani 1 1 d . . .
C38 C 0.1092(15) -0.5704(9) 0.3779(4) 0.0275(19) Uani 1 1 d . . .
H38 H 0.0449 -0.5151 0.3878 0.033 Uiso 1 1 calc R U .
C39 C 0.1686(10) -0.6890(11) 0.3201(3) 0.032(2) Uani 1 1 d . . .
H39 H 0.1460 -0.7171 0.2900 0.039 Uiso 1 1 calc R U .
C40 C 0.2955(10) -0.7269(11) 0.3492(3) 0.035(2) Uani 1 1 d . . .
H40 H 0.3598 -0.7809 0.3390 0.042 Uiso 1 1 calc R U .
C41 C 0.3297(9) -0.6871(10) 0.3929(3) 0.028(2) Uani 1 1 d . . .
H41 H 0.4173 -0.7138 0.4126 0.034 Uiso 1 1 calc R U .
C42 C 0.2375(10) -0.6087(10) 0.4084(3) 0.029(2) Uani 1 1 d . . .
C43 C 0.2759(14) -0.5698(10) 0.4565(4) 0.033(3) Uani 1 1 d . . .
H43A H 0.2123 -0.6208 0.4699 0.039 Uiso 1 1 calc R U .
H43B H 0.3711 -0.6052 0.4712 0.039 Uiso 1 1 calc R U .
C44 C 0.2134(11) -0.3534(10) 0.4940(3) 0.022(2) Uani 1 1 d . . .
H44 H 0.1665 -0.4056 0.5110 0.026 Uiso 1 1 calc R U .
C45 C 0.3297(14) -0.3044(12) 0.4483(4) 0.034(3) Uani 1 1 d . . .
H45 H 0.3800 -0.3124 0.4275 0.041 Uiso 1 1 calc R U .
C46 C 0.3027(13) -0.1825(11) 0.4668(4) 0.031(3) Uani 1 1 d . . .
H46 H 0.3301 -0.0884 0.4606 0.037 Uiso 1 1 calc R U .
N5 N 0.5623(8) 0.3080(8) 0.7089(3) 0.0179(17) Uani 1 1 d . . .
N6 N 0.5170(8) 0.4263(9) 0.7623(2) 0.0230(18) Uani 1 1 d . . .
N8 N 0.6668(8) 0.2657(8) 1.0390(2) 0.0174(17) Uani 1 1 d . . .
N7 N 0.7223(8) 0.3299(9) 0.9792(2) 0.0270(18) Uani 1 1 d . . .
N1 N -0.0028(9) -0.2277(8) 0.2546(3) 0.0211(19) Uani 1 1 d . . .
N2 N -0.0579(10) -0.4174(9) 0.2875(3) 0.025(2) Uani 1 1 d . . .
N4 N 0.2301(9) -0.2116(8) 0.4959(2) 0.0180(18) Uani 1 1 d . . .
N3 N 0.2706(10) -0.4162(8) 0.4650(3) 0.025(2) Uani 1 1 d . . .
O1 O 0.7569(7) 0.0363(6) 0.5883(2) 0.0167(14) Uani 1 1 d . . .
O2 O 0.7395(7) 0.1611(6) 0.65723(19) 0.0148(14) Uani 1 1 d . . .
O3 O 0.9685(6) 0.0699(6) 0.65512(19) 0.0110(13) Uani 1 1 d . . .
O4 O 1.0149(7) 0.0884(6) 0.5604(2) 0.0121(13) Uani 1 1 d . . .
O5 O 0.9029(7) 0.2202(7) 0.5017(2) 0.0210(15) Uani 1 1 d . . .
O6 O 1.0406(7) 0.7461(6) 0.5462(2) 0.0158(14) Uani 1 1 d . . .
O7 O 1.0135(7) 0.8177(6) 0.61081(19) 0.0133(13) Uani 1 1 d . . .
O8 O 0.7841(7) 0.7514(6) 0.6487(2) 0.0178(15) Uani 1 1 d . . .
O9 O 0.9813(7) 0.6691(6) 0.6957(2) 0.0186(15) Uani 1 1 d . . .
O10 O 0.4888(7) -0.1370(6) 0.5919(2) 0.0181(15) Uani 1 1 d . . .
O11 O 0.4724(7) -0.0121(6) 0.66119(19) 0.0150(14) Uani 1 1 d . . .
O12 O 0.2595(7) -0.0438(6) 0.5943(2) 0.0134(13) Uani 1 1 d . . .
O13 O 0.2164(7) -0.0611(6) 0.68950(19) 0.0127(13) Uani 1 1 d . . .
O14 O 0.3349(8) -0.1912(6) 0.7471(2) 0.0218(15) Uani 1 1 d . . .
O15 O 0.1803(7) -0.7152(6) 0.70224(19) 0.0152(13) Uani 1 1 d . . .
O16 O 0.2176(7) -0.7933(6) 0.6406(2) 0.0180(15) Uani 1 1 d . . .
O17 O 0.4441(7) -0.7250(6) 0.6017(2) 0.0154(14) Uani 1 1 d . . .
O18 O 0.2474(7) -0.6497(6) 0.5550(2) 0.0183(15) Uani 1 1 d . . .
O1W O -0.0263(7) -0.0245(7) 0.4705(2) 0.0221(14) Uani 1 1 d . . .
H1WA H -0.0418 0.0610 0.4778 0.033 Uiso 1 1 d R U .
H1WB H -0.0118 -0.0222 0.4455 0.033 Uiso 1 1 d R U .
O2W O 0.2374(8) 0.1022(7) 0.5112(2) 0.0210(15) Uani 1 1 d . . .
H2WA H 0.2412 0.1888 0.5205 0.031 Uiso 1 1 d R U .
H2WB H 0.3171 0.0628 0.5192 0.031 Uiso 1 1 d R U .
O3W O -0.0079(9) 0.0780(6) 0.2365(2) 0.0260(17) Uani 1 1 d . . .
H3WA H 0.0205 0.1473 0.2239 0.039 Uiso 1 1 d R U .
H3WB H -0.0949 0.0854 0.2321 0.039 Uiso 1 1 d R U .
O4W O 0.2679(8) -0.0641(7) 0.2759(2) 0.0263(16) Uani 1 1 d . . .
H4WA H 0.2700 -0.0981 0.3009 0.039 Uiso 1 1 d R U .
H4WB H 0.2932 0.0237 0.2758 0.039 Uiso 1 1 d R U .
O5W O 0.5237(8) 0.1667(7) 0.5323(2) 0.0281(17) Uani 1 1 d . . .
H5WA H 0.5976 0.1173 0.5421 0.042 Uiso 1 1 d R U .
H5WB H 0.5385 0.2480 0.5220 0.042 Uiso 1 1 d R U .
O6W O 0.7099(12) 0.8569(11) 0.7198(4) 0.078(3) Uani 1 1 d . . .
H6WA H 0.6477 0.8976 0.6990 0.117 Uiso 1 1 d R U .
H6WB H 0.7102 0.7657 0.7162 0.117 Uiso 1 1 d R U .
O7W O 0.6194(8) 0.1758(11) 0.4611(2) 0.061(3) Uani 1 1 d . . .
H7WA H 0.6808 0.1471 0.4843 0.091 Uiso 1 1 d R U .
H7WB H 0.5421 0.1401 0.4614 0.091 Uiso 1 1 d R U .
O8W O 0.2457(10) 0.0871(9) 0.8602(2) 0.062(2) Uani 1 1 d . . .
H8WA H 0.2536 0.1788 0.8611 0.093 Uiso 1 1 d R U .
H8WB H 0.2009 0.0711 0.8785 0.093 Uiso 1 1 d R U .
O9W O 0.0322(10) 0.9474(10) 0.8892(3) 0.068(3) Uani 1 1 d . . .
H9WA H 0.0540 0.8598 0.8862 0.101 Uiso 1 1 d R U .
H9WB H -0.0067 0.9836 0.8639 0.101 Uiso 1 1 d R U .
O10W O 0.5271(15) 0.0373(13) 0.8967(5) 0.107(4) Uani 1 1 d . . .
H10A H 0.6007 0.0243 0.9180 0.161 Uiso 1 1 d R U .
H10B H 0.4673 0.0673 0.9086 0.161 Uiso 1 1 d R U .
O11W O 0.605(2) 0.936(2) 0.7779(7) 0.086(6) Uani 0.5 1 d . U P
H11D H 0.6612 0.8929 0.7669 0.103 Uiso 0.5 1 d R U P
H11B H 0.5189 0.9180 0.7723 0.129 Uiso 0.5 1 d R U P
O12W O 0.738(3) 0.033(2) 0.8499(8) 0.229(11) Uani 1 1 d . U .
H12B H 0.7194 0.0501 0.8739 0.344 Uiso 1 1 d R U .
H12C H 0.6761 -0.0228 0.8338 0.344 Uiso 1 1 d R U .
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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
O15 Co4 O4W 93.7(3) 2_544 .
O15 Co4 O3 91.3(2) 2_544 2_454
O4W Co4 O3 159.3(2) . 2_454
O15 Co4 O3W 171.9(3) 2_544 .
O4W Co4 O3W 91.2(3) . .
O3 Co4 O3W 86.4(3) 2_454 .
O15 Co4 N1 87.3(3) 2_544 .
O4W Co4 N1 91.8(3) . .
O3 Co4 N1 108.5(3) 2_454 .
O3W Co4 N1 86.1(3) . .
O15 Co4 O13 97.6(2) 2_544 2_554
O4W Co4 O13 82.9(2) . 2_554
O3 Co4 O13 76.6(2) 2_454 2_554
O3W Co4 O13 89.5(2) . 2_554
N1 Co4 O13 173.0(3) . 2_554
O10 Co5 O8 109.7(3) 2 2_565
O10 Co5 O1 109.8(3) 2 2
O8 Co5 O1 111.0(3) 2_565 2
O10 Co5 N8 102.5(3) 2 .
O8 Co5 N8 115.8(3) 2_565 .
O1 Co5 N8 107.7(3) 2 .
O16 Co1 O12 87.5(2) 1_665 1_655
O16 Co1 O7 178.5(3) 1_665 1_545
O12 Co1 O7 92.9(2) 1_655 1_545
O16 Co1 O3 92.7(2) 1_665 .
O12 Co1 O3 179.6(3) 1_655 .
O7 Co1 O3 86.9(2) 1_545 .
O16 Co1 O4 90.5(2) 1_665 .
O12 Co1 O4 79.9(2) 1_655 .
O7 Co1 O4 91.0(2) 1_545 .
O3 Co1 O4 99.8(2) . .
O16 Co1 O13 89.0(2) 1_665 1_655
O12 Co1 O13 99.7(2) 1_655 1_655
O7 Co1 O13 89.5(2) 1_545 1_655
O3 Co1 O13 80.6(2) . 1_655
O4 Co1 O13 179.4(3) . 1_655
O2 Co3 O11 109.3(3) . .
O2 Co3 O17 107.9(3) . 1_565
O11 Co3 O17 110.7(3) . 1_565
O2 Co3 N5 102.9(3) . .
O11 Co3 N5 114.5(3) . .
O17 Co3 N5 111.1(3) 1_565 .
O6 Co2 O12 92.1(2) 1_445 .
O6 Co2 O2W 174.6(3) 1_445 .
O12 Co2 O2W 88.3(2) . .
O6 Co2 O1W 96.6(3) 1_445 .
O12 Co2 O1W 158.6(2) . .
O2W Co2 O1W 84.9(3) . .
O6 Co2 N4 86.4(3) 1_445 .
O12 Co2 N4 109.0(3) . .
O2W Co2 N4 88.3(3) . .
O1W Co2 N4 91.0(3) . .
O6 Co2 O4 95.1(2) 1_445 1_455
O12 Co2 O4 75.5(2) . 1_455
O2W Co2 O4 90.2(2) . 1_455
O1W Co2 O4 84.3(2) . 1_455
N4 Co2 O4 175.2(3) . 1_455
O2 P1 O1 112.9(4) . .
O2 P1 O3 109.8(3) . .
O1 P1 O3 112.6(3) . .
O2 P1 C1 108.5(4) . .
O1 P1 C1 108.2(4) . .
O3 P1 C1 104.5(4) . .
O10 P2 O11 113.2(4) . .
O10 P2 O12 109.7(4) . .
O11 P2 O12 112.9(4) . .
O10 P2 C10 107.7(4) . .
O11 P2 C10 108.5(4) . .
O12 P2 C10 104.2(4) . .
C6 C1 C2 117.6(7) . .
C6 C1 P1 114.8(6) . .
C2 C1 P1 127.2(6) . .
C3 C2 C1 119.1(7) . .
C3 C2 C7 118.1(7) . .
C1 C2 C7 122.8(7) . .
C4 C3 C2 122.3(8) . .
C4 C3 H3 118.8 . .
C2 C3 H3 118.8 . .
C3 C4 C5 118.7(8) . .
C3 C4 C8 120.7(8) . .
C5 C4 C8 120.6(7) . .
C6 C5 C4 119.7(8) . .
C6 C5 C9 114.0(7) . .
C4 C5 C9 126.3(7) . .
C5 C6 C1 122.5(8) . .
C5 C6 H6 118.7 . .
C1 C6 H6 118.7 . .
O5 C7 O4 122.6(8) . .
O5 C7 C2 117.2(8) . .
O4 C7 C2 120.1(8) . .
O7 C8 O6 126.6(8) . .
O7 C8 C4 114.3(7) . .
O6 C8 C4 119.1(7) . .
O9 C9 O8 124.1(8) . .
O9 C9 C5 118.1(8) . .
O8 C9 C5 117.0(9) . .
C15 C10 C11 118.4(8) . .
C15 C10 P2 115.1(6) . .
C11 C10 P2 126.2(6) . .
C12 C11 C10 120.0(7) . .
C12 C11 C16 116.6(7) . .
C10 C11 C16 123.3(7) . .
C11 C12 C13 121.7(7) . .
C11 C12 H12 119.1 . .
C13 C12 H12 119.1 . .
C12 C13 C14 118.5(7) . .
C12 C13 C17 122.5(7) . .
C14 C13 C17 119.1(7) . .
C15 C14 C13 119.6(7) . .
C15 C14 C18 114.4(7) . .
C13 C14 C18 126.0(7) . .
C14 C15 C10 121.7(8) . .
C14 C15 H15 119.2 . .
C10 C15 H15 119.2 . .
O14 C16 O13 123.8(7) . .
O14 C16 C11 117.1(7) . .
O13 C16 C11 119.1(7) . .
O16 C17 O15 125.8(8) . .
O16 C17 C13 116.7(7) . .
O15 C17 C13 117.5(7) . .
O18 C18 O17 122.7(8) . .
O18 C18 C14 117.7(8) . .
O17 C18 C14 118.9(8) . .
N5 C19 N6 110.3(8) . .
N5 C19 H19 124.9 . .
N6 C19 H19 124.9 . .
C21 C20 N5 110.3(8) . .
C21 C20 H20 124.8 . .
N5 C20 H20 124.8 . .
C20 C21 N6 105.4(8) . .
C20 C21 H21 127.3 . .
N6 C21 H21 127.3 . .
N6 C22 C23 110.9(8) . .
N6 C22 H22A 109.5 . .
C23 C22 H22A 109.5 . .
N6 C22 H22B 109.5 . .
C23 C22 H22B 109.5 . .
H22A C22 H22B 108.0 . .
C24 C23 C28 119.8(9) . .
C24 C23 C22 120.5(10) . .
C28 C23 C22 119.7(8) . .
C23 C24 C25 120.4(9) . .
C23 C24 H24 119.8 . .
C25 C24 H24 119.8 . .
C26 C25 C24 120.1(8) . .
C26 C25 C29 119.2(9) . .
C24 C25 C29 120.7(9) . .
C25 C26 C27 119.8(9) . .
C25 C26 H26 120.1 . .
C27 C26 H26 120.1 . .
C26 C27 C28 121.2(10) . .
C26 C27 H27 119.4 . .
C28 C27 H27 119.4 . .
C27 C28 C23 118.7(9) . .
C27 C28 H28 120.7 . .
C23 C28 H28 120.7 . .
N7 C29 C25 111.0(8) . .
N7 C29 H29A 109.4 . .
C25 C29 H29A 109.4 . .
N7 C29 H29B 109.4 . .
C25 C29 H29B 109.4 . .
H29A C29 H29B 108.0 . .
N8 C30 N7 110.1(8) . .
N8 C30 H30 125.0 . .
N7 C30 H30 125.0 . .
C32 C31 N7 107.0(8) . .
C32 C31 H31 126.5 . .
N7 C31 H31 126.5 . .
N8 C32 C31 109.9(9) . .
N8 C32 H32 125.1 . .
C31 C32 H32 125.1 . .
N1 C33 N2 111.1(9) . .
N1 C33 H33 124.4 . .
N2 C33 H33 124.4 . .
C35 C34 N1 109.4(9) . .
C35 C34 H34 125.3 . .
N1 C34 H34 125.3 . .
N2 C35 C34 105.5(9) . .
N2 C35 H35 127.3 . .
C34 C35 H35 127.3 . .
N2 C36 C37 111.3(8) . .
N2 C36 H36A 109.4 . .
C37 C36 H36A 109.4 . .
N2 C36 H36B 109.4 . .
C37 C36 H36B 109.4 . .
H36A C36 H36B 108.0 . .
C38 C37 C39 119.2(9) . .
C38 C37 C36 121.7(10) . .
C39 C37 C36 119.1(8) . .
C37 C38 C42 121.8(10) . .
C37 C38 H38 119.1 . .
C42 C38 H38 119.1 . .
C37 C39 C40 120.1(8) . .
C37 C39 H39 120.0 . .
C40 C39 H39 120.0 . .
C41 C40 C39 120.6(9) . .
C41 C40 H40 119.7 . .
C39 C40 H40 119.7 . .
C40 C41 C42 120.5(9) . .
C40 C41 H41 119.7 . .
C42 C41 H41 119.7 . .
C41 C42 C38 117.8(9) . .
C41 C42 C43 119.4(9) . .
C38 C42 C43 122.8(9) . .
N3 C43 C42 114.3(8) . .
N3 C43 H43A 108.7 . .
C42 C43 H43A 108.7 . .
N3 C43 H43B 108.7 . .
C42 C43 H43B 108.7 . .
H43A C43 H43B 107.6 . .
N4 C44 N3 112.4(8) . .
N4 C44 H44 123.8 . .
N3 C44 H44 123.8 . .
C46 C45 N3 107.0(9) . .
C46 C45 H45 126.5 . .
N3 C45 H45 126.5 . .
C45 C46 N4 110.8(9) . .
C45 C46 H46 124.6 . .
N4 C46 H46 124.6 . .
C19 N5 C20 105.6(7) . .
C19 N5 Co3 131.5(7) . .
C20 N5 Co3 121.5(6) . .
C19 N6 C21 108.3(7) . .
C19 N6 C22 126.3(8) . .
C21 N6 C22 125.3(8) . .
C30 N8 C32 106.3(8) . .
C30 N8 Co5 123.4(6) . .
C32 N8 Co5 129.1(6) . .
C30 N7 C31 106.8(8) . .
C30 N7 C29 123.2(8) . .
C31 N7 C29 129.5(8) . .
C33 N1 C34 105.7(8) . .
C33 N1 Co4 126.5(7) . .
C34 N1 Co4 126.9(7) . .
C33 N2 C35 108.3(8) . .
C33 N2 C36 126.2(9) . .
C35 N2 C36 125.2(9) . .
C44 N4 C46 104.5(8) . .
C44 N4 Co2 124.2(6) . .
C46 N4 Co2 130.6(6) . .
C44 N3 C45 105.3(8) . .
C44 N3 C43 126.4(9) . .
C45 N3 C43 128.1(9) . .
P1 O1 Co5 123.2(4) . 2_554
P1 O2 Co3 142.8(4) . .
P1 O3 Co1 120.0(3) . .
P1 O3 Co4 135.8(3) . 2_655
Co1 O3 Co4 98.9(3) . 2_655
C7 O4 Co1 136.6(5) . .
C7 O4 Co2 128.3(5) . 1_655
Co1 O4 Co2 92.7(2) . 1_655
C8 O6 Co2 126.6(5) . 1_665
C8 O7 Co1 131.5(6) . 1_565
C9 O8 Co5 132.0(6) . 2_564
P2 O10 Co5 140.9(4) . 2_554
P2 O11 Co3 124.3(4) . .
P2 O12 Co1 119.7(3) . 1_455
P2 O12 Co2 135.0(4) . .
Co1 O12 Co2 100.3(3) 1_455 .
C16 O13 Co1 136.6(5) . 1_455
C16 O13 Co4 128.5(5) . 2
Co1 O13 Co4 92.2(2) 1_455 2
C17 O15 Co4 125.2(5) . 2_545
C17 O16 Co1 132.9(6) . 1_445
C18 O17 Co3 131.3(6) . 1_545
Co2 O1W H1WA 95.5 . .
Co2 O1W H1WB 122.7 . .
H1WA O1W H1WB 109.2 . .
Co2 O2W H2WA 126.1 . .
Co2 O2W H2WB 96.1 . .
H2WA O2W H2WB 111.0 . .
Co4 O3W H3WA 100.4 . .
Co4 O3W H3WB 127.4 . .
H3WA O3W H3WB 109.9 . .
Co4 O4W H4WA 122.4 . .
Co4 O4W H4WB 107.7 . .
H4WA O4W H4WB 115.5 . .
H5WA O5W H5WB 112.2 . .
H6WA O6W H6WB 111.4 . .
H7WA O7W H7WB 107.6 . .
H8WA O8W H8WB 102.4 . .
H9WA O9W H9WB 109.4 . .
H10A O10W H10B 105.1 . .
H11D O11W H11B 126.1 . .
H12B O12W H12C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co4 O15 2.063(6) 2_544
Co4 O4W 2.087(7) .
Co4 O3 2.091(6) 2_454
Co4 O3W 2.102(7) .
Co4 N1 2.114(8) .
Co4 O13 2.258(6) 2_554
Co5 O10 1.919(7) 2
Co5 O8 1.944(6) 2_565
Co5 O1 1.964(6) 2
Co5 N8 1.990(7) .
Co1 O16 2.053(6) 1_665
Co1 O12 2.054(6) 1_655
Co1 O7 2.054(6) 1_545
Co1 O3 2.056(6) .
Co1 O4 2.110(6) .
Co1 O13 2.115(6) 1_655
Co3 O2 1.941(7) .
Co3 O11 1.948(6) .
Co3 O17 1.961(6) 1_565
Co3 N5 1.999(7) .
Co2 O6 2.070(6) 1_445
Co2 O12 2.085(6) .
Co2 O2W 2.098(6) .
Co2 O1W 2.112(7) .
Co2 N4 2.115(7) .
Co2 O4 2.278(6) 1_455
P1 O2 1.507(6) .
P1 O1 1.527(7) .
P1 O3 1.527(7) .
P1 C1 1.797(8) .
P2 O10 1.515(6) .
P2 O11 1.520(6) .
P2 O12 1.535(7) .
P2 C10 1.796(9) .
C1 C6 1.404(12) .
C1 C2 1.407(12) .
C2 C3 1.397(11) .
C2 C7 1.512(11) .
C3 C4 1.384(12) .
C3 H3 0.9500 .
C4 C5 1.391(11) .
C4 C8 1.499(12) .
C5 C6 1.378(12) .
C5 C9 1.521(11) .
C6 H6 0.9500 .
C7 O5 1.265(11) .
C7 O4 1.277(11) .
C8 O7 1.254(10) .
C8 O6 1.264(10) .
C9 O9 1.232(12) .
C9 O8 1.295(11) .
C10 C15 1.390(11) .
C10 C11 1.411(11) .
C11 C12 1.377(11) .
C11 C16 1.523(11) .
C12 C13 1.393(11) .
C12 H12 0.9500 .
C13 C14 1.413(11) .
C13 C17 1.495(11) .
C14 C15 1.387(12) .
C14 C18 1.511(11) .
C15 H15 0.9500 .
C16 O14 1.235(11) .
C16 O13 1.277(10) .
C17 O16 1.235(10) .
C17 O15 1.262(10) .
C18 O18 1.245(11) .
C18 O17 1.268(11) .
C19 N5 1.305(11) .
C19 N6 1.352(12) .
C19 H19 0.9500 .
C20 C21 1.332(12) .
C20 N5 1.393(12) .
C20 H20 0.9500 .
C21 N6 1.371(12) .
C21 H21 0.9500 .
C22 N6 1.480(10) .
C22 C23 1.509(12) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.374(14) .
C23 C28 1.405(14) .
C24 C25 1.390(16) .
C24 H24 0.9500 .
C25 C26 1.369(14) .
C25 C29 1.511(12) .
C26 C27 1.379(14) .
C26 H26 0.9500 .
C27 C28 1.383(14) .
C27 H27 0.9500 .
C28 H28 0.9500 .
C29 N7 1.460(10) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 N8 1.344(11) .
C30 N7 1.359(12) .
C30 H30 0.9500 .
C31 C32 1.358(13) .
C31 N7 1.366(12) .
C31 H31 0.9500 .
C32 N8 1.350(12) .
C32 H32 0.9500 .
C33 N1 1.318(12) .
C33 N2 1.345(12) .
C33 H33 0.9500 .
C34 C35 1.372(14) .
C34 N1 1.386(12) .
C34 H34 0.9500 .
C35 N2 1.366(14) .
C35 H35 0.9500 .
C36 N2 1.464(12) .
C36 C37 1.503(14) .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C38 1.365(15) .
C37 C39 1.379(13) .
C38 C42 1.410(17) .
C38 H38 0.9500 .
C39 C40 1.383(13) .
C39 H39 0.9500 .
C40 C41 1.376(12) .
C40 H40 0.9500 .
C41 C42 1.382(12) .
C41 H41 0.9500 .
C42 C43 1.502(13) .
C43 N3 1.447(12) .
C43 H43A 0.9900 .
C43 H43B 0.9900 .
C44 N4 1.318(12) .
C44 N3 1.356(12) .
C44 H44 0.9500 .
C45 C46 1.334(14) .
C45 N3 1.377(14) .
C45 H45 0.9500 .
C46 N4 1.370(12) .
C46 H46 0.9500 .
O1 Co5 1.964(6) 2_554
O3 Co4 2.091(6) 2_655
O4 Co2 2.278(6) 1_655
O6 Co2 2.070(6) 1_665
O7 Co1 2.054(6) 1_565
O8 Co5 1.944(6) 2_564
O10 Co5 1.919(7) 2_554
O12 Co1 2.054(6) 1_455
O13 Co1 2.115(6) 1_455
O13 Co4 2.258(6) 2
O15 Co4 2.063(6) 2_545
O16 Co1 2.053(6) 1_445
O17 Co3 1.961(6) 1_545
O1W H1WA 0.8503 .
O1W H1WB 0.8505 .
O2W H2WA 0.8500 .
O2W H2WB 0.8498 .
O3W H3WA 0.8501 .
O3W H3WB 0.8495 .
O4W H4WA 0.8500 .
O4W H4WB 0.8500 .
O5W H5WA 0.8501 .
O5W H5WB 0.8497 .
O6W H6WA 0.8503 .
O6W H6WB 0.8496 .
O7W H7WA 0.8504 .
O7W H7WB 0.8503 .
O8W H8WA 0.8498 .
O8W H8WB 0.8502 .
O9W H9WA 0.8503 .
O9W H9WB 0.8499 .
O10W H10A 0.8502 .
O10W H10B 0.8497 .
O11W H11D 0.8502 .
O11W H11B 0.8500 .
O12W H12B 0.8501 .
O12W H12C 0.8501 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O12W H12C O11W 0.85 1.75 2.45(3) 138.2 1_545
O12W H12B O10W 0.85 2.27 2.94(2) 135.4 .
O11W H11B O14 0.85 2.05 2.86(2) 158.1 1_565
O11W H11D O6W 0.85 1.74 2.50(3) 147.0 .
O10W H10B O8W 0.85 2.31 2.767(17) 113.9 .
O10W H10A O7W 0.85 2.27 2.788(16) 119.3 2
O9W H9WB O12W 0.85 2.53 2.97(3) 113.3 1_465
O8W H8WB O9W 0.85 2.16 2.891(12) 143.7 1_545
O7W H7WA O5 0.85 2.25 2.796(11) 122.3 .
O6W H6WA O11 0.85 2.00 2.829(13) 164.9 1_565
O5W H5WA O1 0.85 1.97 2.764(10) 155.2 .
O4W H4WB O14 0.85 1.91 2.687(9) 152.1 2_554
O4W H4WA O8W 0.85 1.97 2.762(9) 154.1 2_554
O3W H3WB O6W 0.85 1.97 2.803(15) 168.7 2_464
O3W H3WA O9 0.85 1.90 2.656(8) 147.2 2_464
O2W H2WB O5W 0.85 2.22 2.830(10) 128.6 .
O2W H2WA O18 0.85 1.84 2.666(8) 163.9 1_565
O1W H1WB O9W 0.85 2.09 2.907(10) 161.9 2_564
O1W H1WA O5 0.85 1.82 2.650(8) 165.8 1_455
O1W H1WA O4 0.85 2.53 2.951(8) 111.9 1_455
C44 H44 O6 0.95 2.39 2.896(11) 113.3 1_445
C33 H33 O15 0.95 2.50 2.975(11) 110.6 2_544
C33 H33 O9 0.95 2.60 3.361(12) 137.2 2_454
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_4
O2 P1 C1 C6 22.3(8) .
O1 P1 C1 C6 145.1(7) .
O3 P1 C1 C6 -94.8(7) .
O2 P1 C1 C2 -164.8(8) .
O1 P1 C1 C2 -42.0(10) .
O3 P1 C1 C2 78.1(9) .
C6 C1 C2 C3 -2.0(13) .
P1 C1 C2 C3 -174.8(7) .
C6 C1 C2 C7 177.2(9) .
P1 C1 C2 C7 4.5(14) .
C1 C2 C3 C4 3.8(14) .
C7 C2 C3 C4 -175.5(9) .
C2 C3 C4 C5 -2.3(14) .
C2 C3 C4 C8 174.9(9) .
C3 C4 C5 C6 -1.0(14) .
C8 C4 C5 C6 -178.2(8) .
C3 C4 C5 C9 177.8(9) .
C8 C4 C5 C9 0.6(15) .
C4 C5 C6 C1 2.7(14) .
C9 C5 C6 C1 -176.2(9) .
C2 C1 C6 C5 -1.2(14) .
P1 C1 C6 C5 172.4(7) .
C3 C2 C7 O5 -48.3(12) .
C1 C2 C7 O5 132.4(9) .
C3 C2 C7 O4 127.0(9) .
C1 C2 C7 O4 -52.2(13) .
C3 C4 C8 O7 -170.8(9) .
C5 C4 C8 O7 6.4(13) .
C3 C4 C8 O6 9.6(13) .
C5 C4 C8 O6 -173.3(9) .
C6 C5 C9 O9 75.0(11) .
C4 C5 C9 O9 -103.8(11) .
C6 C5 C9 O8 -95.4(9) .
C4 C5 C9 O8 85.8(12) .
O10 P2 C10 C15 -21.3(8) .
O11 P2 C10 C15 -144.2(7) .
O12 P2 C10 C15 95.2(7) .
O10 P2 C10 C11 165.0(8) .
O11 P2 C10 C11 42.0(9) .
O12 P2 C10 C11 -78.6(8) .
C15 C10 C11 C12 1.0(13) .
P2 C10 C11 C12 174.5(7) .
C15 C10 C11 C16 -179.0(8) .
P2 C10 C11 C16 -5.4(13) .
C10 C11 C12 C13 -3.6(13) .
C16 C11 C12 C13 176.4(8) .
C11 C12 C13 C14 3.2(13) .
C11 C12 C13 C17 -176.5(8) .
C12 C13 C14 C15 -0.4(13) .
C17 C13 C14 C15 179.4(8) .
C12 C13 C14 C18 179.8(9) .
C17 C13 C14 C18 -0.5(13) .
C13 C14 C15 C10 -2.2(14) .
C18 C14 C15 C10 177.7(9) .
C11 C10 C15 C14 1.8(14) .
P2 C10 C15 C14 -172.4(7) .
C12 C11 C16 O14 52.3(12) .
C10 C11 C16 O14 -127.8(10) .
C12 C11 C16 O13 -126.7(9) .
C10 C11 C16 O13 53.2(13) .
C12 C13 C17 O16 174.6(8) .
C14 C13 C17 O16 -5.1(12) .
C12 C13 C17 O15 -5.3(13) .
C14 C13 C17 O15 174.9(8) .
C15 C14 C18 O18 -77.6(11) .
C13 C14 C18 O18 102.2(10) .
C15 C14 C18 O17 93.2(10) .
C13 C14 C18 O17 -86.9(11) .
N5 C20 C21 N6 0.8(10) .
N6 C22 C23 C24 -96.8(11) .
N6 C22 C23 C28 82.9(10) .
C28 C23 C24 C25 -2.3(14) .
C22 C23 C24 C25 177.4(9) .
C23 C24 C25 C26 1.0(14) .
C23 C24 C25 C29 178.9(9) .
C24 C25 C26 C27 0.4(14) .
C29 C25 C26 C27 -177.4(8) .
C25 C26 C27 C28 -0.6(14) .
C26 C27 C28 C23 -0.6(14) .
C24 C23 C28 C27 2.1(13) .
C22 C23 C28 C27 -177.6(8) .
C26 C25 C29 N7 86.2(11) .
C24 C25 C29 N7 -91.7(11) .
N7 C31 C32 N8 0.1(12) .
N1 C34 C35 N2 0.8(15) .
N2 C36 C37 C38 79.1(12) .
N2 C36 C37 C39 -99.2(11) .
C39 C37 C38 C42 -0.8(14) .
C36 C37 C38 C42 -179.1(9) .
C38 C37 C39 C40 0.3(14) .
C36 C37 C39 C40 178.6(9) .
C37 C39 C40 C41 0.1(15) .
C39 C40 C41 C42 0.1(15) .
C40 C41 C42 C38 -0.6(15) .
C40 C41 C42 C43 178.5(9) .
C37 C38 C42 C41 1.0(14) .
C37 C38 C42 C43 -178.1(9) .
C41 C42 C43 N3 124.1(11) .
C38 C42 C43 N3 -56.9(14) .
N3 C45 C46 N4 1.3(14) .
N6 C19 N5 C20 1.8(10) .
N6 C19 N5 Co3 -164.4(6) .
C21 C20 N5 C19 -1.7(11) .
C21 C20 N5 Co3 166.3(6) .
N5 C19 N6 C21 -1.4(10) .
N5 C19 N6 C22 175.9(8) .
C20 C21 N6 C19 0.3(10) .
C20 C21 N6 C22 -177.1(8) .
C23 C22 N6 C19 118.0(10) .
C23 C22 N6 C21 -65.1(12) .
N7 C30 N8 C32 -0.2(11) .
N7 C30 N8 Co5 -168.5(6) .
C31 C32 N8 C30 0.0(11) .
C31 C32 N8 Co5 167.4(7) .
N8 C30 N7 C31 0.3(11) .
N8 C30 N7 C29 172.5(8) .
C32 C31 N7 C30 -0.2(11) .
C32 C31 N7 C29 -171.8(9) .
C25 C29 N7 C30 161.9(9) .
C25 C29 N7 C31 -27.7(14) .
N2 C33 N1 C34 1.7(13) .
N2 C33 N1 Co4 171.2(7) .
C35 C34 N1 C33 -1.5(14) .
C35 C34 N1 Co4 -171.0(8) .
N1 C33 N2 C35 -1.2(13) .
N1 C33 N2 C36 -174.8(9) .
C34 C35 N2 C33 0.2(14) .
C34 C35 N2 C36 173.9(11) .
C37 C36 N2 C33 77.6(13) .
C37 C36 N2 C35 -94.9(13) .
N3 C44 N4 C46 -0.3(12) .
N3 C44 N4 Co2 170.6(7) .
C45 C46 N4 C44 -0.6(13) .
C45 C46 N4 Co2 -170.8(8) .
N4 C44 N3 C45 1.1(13) .
N4 C44 N3 C43 177.1(10) .
C46 C45 N3 C44 -1.4(13) .
C46 C45 N3 C43 -177.3(11) .
C42 C43 N3 C44 134.7(11) .
C42 C43 N3 C45 -50.3(17) .
O2 P1 O1 Co5 -55.7(5) 2_554
O3 P1 O1 Co5 69.3(5) 2_554
C1 P1 O1 Co5 -175.8(4) 2_554
O1 P1 O2 Co3 -28.5(7) .
O3 P1 O2 Co3 -155.0(5) .
C1 P1 O2 Co3 91.4(7) .
O2 P1 O3 Co1 178.7(3) .
O1 P1 O3 Co1 52.0(5) .
C1 P1 O3 Co1 -65.1(4) .
O2 P1 O3 Co4 -32.9(6) 2_655
O1 P1 O3 Co4 -159.6(4) 2_655
C1 P1 O3 Co4 83.3(5) 2_655
O5 C7 O4 Co1 176.5(6) .
C2 C7 O4 Co1 1.5(13) .
O5 C7 O4 Co2 19.6(13) 1_655
C2 C7 O4 Co2 -155.4(6) 1_655
O7 C8 O6 Co2 6.6(14) 1_665
C4 C8 O6 Co2 -173.8(6) 1_665
O6 C8 O7 Co1 -16.6(15) 1_565
C4 C8 O7 Co1 163.8(6) 1_565
O9 C9 O8 Co5 148.2(7) 2_564
C5 C9 O8 Co5 -42.0(11) 2_564
O11 P2 O10 Co5 27.9(7) 2_554
O12 P2 O10 Co5 155.0(5) 2_554
C10 P2 O10 Co5 -92.1(6) 2_554
O10 P2 O11 Co3 57.3(6) .
O12 P2 O11 Co3 -68.1(5) .
C10 P2 O11 Co3 176.9(4) .
O10 P2 O12 Co1 -179.2(3) 1_455
O11 P2 O12 Co1 -51.9(5) 1_455
C10 P2 O12 Co1 65.7(4) 1_455
O10 P2 O12 Co2 31.5(6) .
O11 P2 O12 Co2 158.8(4) .
C10 P2 O12 Co2 -83.6(5) .
O14 C16 O13 Co1 180.0(6) 1_455
C11 C16 O13 Co1 -1.1(13) 1_455
O14 C16 O13 Co4 -24.7(13) 2
C11 C16 O13 Co4 154.3(6) 2
O16 C17 O15 Co4 -2.8(14) 2_545
C13 C17 O15 Co4 177.1(5) 2_545
O15 C17 O16 Co1 20.2(15) 1_445
C13 C17 O16 Co1 -159.8(6) 1_445
O18 C18 O17 Co3 -145.6(7) 1_545
C14 C18 O17 Co3 44.0(11) 1_545
