#------------------------------------------------------------------------------
#$Date: 2016-03-25 15:56:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179944 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/39/7023957.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_7023957
loop_
_publ_author_name
'Zheng, Tao'
'Bao, Song-Song'
'Ren, Min'
'Zheng, Li-Min'
_publ_section_title
;
 Cobalt phosphonates based on 4-(ethoxycarbonyl)naphthalen-1-yl)phosphonic
 acid.
;
_journal_issue                   46
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              16396
_journal_page_last               16402
_journal_paper_doi               10.1039/c3dt52125g
_journal_volume                  42
_journal_year                    2013
_chemical_formula_moiety         'C36 H32 Co2 N2 O11 P2'
_chemical_formula_sum            'C36 H32 Co2 N2 O11 P2'
_chemical_formula_weight         848.44
_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                 100.5260(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.5694(6)
_cell_length_b                   18.1971(11)
_cell_length_c                   21.3531(13)
_cell_measurement_reflns_used    7337
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.238
_cell_volume                     3655.8(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  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker APEX II'
_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  0.0209
_diffrn_reflns_av_sigmaI/netI    0.0218
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            20320
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.48
_exptl_absorpt_coefficient_mu    1.058
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_correction_T_min  0.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle-like
_exptl_crystal_F_000             1736
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.881
_refine_diff_density_min         -0.764
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     525
_refine_ls_number_reflns         6407
_refine_ls_number_restraints     487
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0546
_refine_ls_R_factor_gt           0.0444
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0740P)²+6.2745P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1236
_refine_ls_wR_factor_ref         0.1330
_reflns_number_gt                5227
_reflns_number_total             6407
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt52125g.txt
_cod_data_source_block           sad
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_sg_symbol_H-M      'P 21/n'
_cod_database_code               7023957
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 0.83675(5) 0.55326(3) 0.42893(2) 0.02367(16) Uani 1 1 d . . .
Co2 Co 1.16447(5) 0.95497(2) 0.07693(2) 0.02319(16) Uani 1 1 d . . .
P1 P 1.00508(10) 0.40672(5) 0.42726(4) 0.0239(2) Uani 1 1 d . . .
P2 P 1.00791(9) 0.90063(5) -0.06378(4) 0.0234(2) Uani 1 1 d . . .
O1 O 0.9030(3) 0.46302(14) 0.39160(12) 0.0325(6) Uani 1 1 d . . .
O2 O 1.1488(3) 0.40858(15) 0.40740(13) 0.0345(6) Uani 1 1 d . . .
O3 O 1.0142(3) 0.41267(13) 0.49946(12) 0.0279(5) Uani 1 1 d . . .
O6 O 1.0167(3) 0.91732(13) 0.00715(11) 0.0266(5) Uani 1 1 d . . .
O7 O 1.1506(3) 0.90081(14) -0.08466(13) 0.0348(6) Uani 1 1 d . . .
O8 O 0.9004(3) 0.94958(13) -0.10512(12) 0.0300(6) Uani 1 1 d . . .
O9 O 0.7788(15) 0.5398(5) -0.0636(5) 0.081(3) Uani 0.65(2) 1 d PDU A 1
O9' O 0.841(2) 0.5297(6) -0.0859(11) 0.076(4) Uani 0.35(2) 1 d PDU A 2
O10 O 0.7029(5) 0.5815(2) -0.1632(2) 0.0833(11) Uani 1 1 d U A .
O1W O 0.7512(2) 0.47755(15) 0.49955(10) 0.0276(6) Uani 1 1 d . . .
H1A H 0.6762 0.4519 0.4894 0.033 Uiso 1 1 d R . .
H1B H 0.8230 0.4500 0.5112 0.033 Uiso 1 1 d R . .
N1 N 0.8973(3) 0.62673(18) 0.36127(15) 0.0326(7) Uani 1 1 d . . .
N2 N 1.0899(3) 0.88515(17) 0.14408(15) 0.0316(7) Uani 1 1 d . . .
C1 C 0.9334(4) 0.3154(2) 0.40729(19) 0.0336(8) Uani 1 1 d U B .
C2 C 0.8848(6) 0.2757(3) 0.4534(2) 0.0559(11) Uani 1 1 d U . .
H2 H 0.8826 0.2975 0.4926 0.067 Uiso 1 1 calc R . .
C3 C 0.8386(7) 0.2033(3) 0.4431(3) 0.0787(14) Uani 1 1 d U B .
H3 H 0.8036 0.1787 0.4751 0.094 Uiso 1 1 calc R . .
C4 C 0.8434(8) 0.1680(4) 0.3880(4) 0.0896(10) Uani 1 1 d U . .
C5 C 0.8922(5) 0.2056(3) 0.3381(3) 0.0557(10) Uani 1 1 d U B .
C6 C 0.9032(6) 0.1706(3) 0.2801(3) 0.0684(13) Uani 1 1 d U . .
H6 H 0.8811 0.1209 0.2747 0.082 Uiso 1 1 calc R B .
C7 C 0.9443(6) 0.2073(4) 0.2341(3) 0.0753(13) Uani 1 1 d U B .
H7 H 0.9502 0.1830 0.1964 0.090 Uiso 1 1 calc R . .
C8 C 0.9800(6) 0.2826(4) 0.2398(3) 0.0712(13) Uani 1 1 d U . .
H8 H 1.0074 0.3074 0.2060 0.085 Uiso 1 1 calc R B .
C9 C 0.9743(5) 0.3193(3) 0.2958(2) 0.0543(11) Uani 1 1 d U B .
H9 H 0.9970 0.3690 0.2998 0.065 Uiso 1 1 calc R . .
C10 C 0.9339(4) 0.2811(2) 0.3468(2) 0.0395(8) Uani 1 1 d U . .
C12 C 0.9436(4) 0.80686(19) -0.07347(18) 0.0282(7) Uani 1 1 d U . .
C13 C 0.8195(4) 0.7921(2) -0.11482(19) 0.0351(8) Uani 1 1 d U . .
H13 H 0.7677 0.8305 -0.1365 0.042 Uiso 1 1 calc R . .
C14 C 0.7696(5) 0.7199(2) -0.1247(2) 0.0422(9) Uani 1 1 d U . .
H14 H 0.6880 0.7109 -0.1548 0.051 Uiso 1 1 calc R . .
C15 C 0.8381(5) 0.6623(2) -0.0912(2) 0.0446(9) Uani 1 1 d U A .
C16 C 0.9640(5) 0.6750(2) -0.0452(2) 0.0458(9) Uani 1 1 d U . .
C17 C 1.0373(6) 0.6193(3) -0.0061(3) 0.0701(13) Uani 1 1 d U . .
H17 H 1.0000 0.5720 -0.0083 0.084 Uiso 1 1 calc R . .
C18 C 1.1610(7) 0.6334(3) 0.0347(3) 0.0800(14) Uani 1 1 d U . .
H18 H 1.2063 0.5958 0.0601 0.096 Uiso 1 1 calc R . .
C19 C 1.2209(6) 0.7034(3) 0.0391(3) 0.0667(13) Uani 1 1 d U . .
H19 H 1.3073 0.7119 0.0660 0.080 Uiso 1 1 calc R . .
C20 C 1.1520(5) 0.7593(2) 0.0037(2) 0.0479(10) Uani 1 1 d U . .
H20 H 1.1920 0.8061 0.0072 0.058 Uiso 1 1 calc R . .
C21 C 1.0210(4) 0.7478(2) -0.03825(19) 0.0363(8) Uani 1 1 d U . .
C22 C 0.7791(6) 0.5874(3) -0.1054(3) 0.0624(12) Uani 1 1 d DU . .
C23 C 0.8722(5) 0.6985(2) 0.3665(2) 0.0414(10) Uani 1 1 d . . .
H23 H 0.8345 0.7145 0.4013 0.050 Uiso 1 1 calc R . .
C24 C 0.8997(5) 0.7501(2) 0.3228(2) 0.0433(10) Uani 1 1 d . . .
H24 H 0.8810 0.7996 0.3285 0.052 Uiso 1 1 calc R . .
C25 C 0.9553(4) 0.7278(2) 0.27024(19) 0.0356(9) Uani 1 1 d . . .
C26 C 0.9780(5) 0.6535(2) 0.2644(2) 0.0443(10) Uani 1 1 d . . .
H26 H 1.0131 0.6358 0.2295 0.053 Uiso 1 1 calc R . .
C27 C 0.9485(5) 0.6054(2) 0.3104(2) 0.0418(10) Uani 1 1 d . . .
H27 H 0.9654 0.5555 0.3055 0.050 Uiso 1 1 calc R . .
C28 C 0.9966(4) 0.7820(2) 0.22477(18) 0.0352(9) Uani 1 1 d . . .
C29 C 1.1197(5) 0.7714(2) 0.2005(2) 0.0445(11) Uani 1 1 d . . .
H29 H 1.1735 0.7290 0.2106 0.053 Uiso 1 1 calc R . .
C30 C 1.1622(5) 0.8235(2) 0.1614(2) 0.0414(10) Uani 1 1 d . . .
H30 H 1.2460 0.8154 0.1462 0.050 Uiso 1 1 calc R . .
C31 C 0.9192(4) 0.8452(2) 0.2061(2) 0.0434(10) Uani 1 1 d . . .
H31 H 0.8347 0.8544 0.2203 0.052 Uiso 1 1 calc R . .
C32 C 0.9692(4) 0.8944(2) 0.1660(2) 0.0411(10) Uani 1 1 d . . .
H32 H 0.9156 0.9363 0.1536 0.049 Uiso 1 1 calc R . .
C33 C 0.6440(8) 0.5112(4) -0.1846(4) 0.0924(17) Uani 1 1 d U . .
H33A H 0.5519 0.5179 -0.2117 0.111 Uiso 1 1 calc R A .
H33B H 0.6311 0.4817 -0.1482 0.111 Uiso 1 1 calc R . .
C34 C 0.7394(11) 0.4740(5) -0.2197(5) 0.132(3) Uani 1 1 d U A .
H34A H 0.7003 0.4270 -0.2339 0.158 Uiso 1 1 calc R . .
H34B H 0.8301 0.4671 -0.1925 0.158 Uiso 1 1 calc R . .
H34C H 0.7510 0.5031 -0.2558 0.158 Uiso 1 1 calc R . .
C11 C 0.7940(10) 0.0870(4) 0.3827(4) 0.0984(9) Uani 0.549(7) 1 d PDU B 1
O5 O 0.7427(13) 0.0607(5) 0.3337(5) 0.120(3) Uani 0.549(7) 1 d PDU B 1
O4 O 0.8288(13) 0.0526(5) 0.4348(4) 0.1094(16) Uani 0.549(7) 1 d PDU B 1
C35 C 0.7466(18) -0.0197(8) 0.4086(9) 0.115(2) Uani 0.549(7) 1 d PDU B 1
H35A H 0.6862 -0.0370 0.4374 0.138 Uiso 0.549(7) 1 calc PR B 1
H35B H 0.6887 -0.0114 0.3669 0.138 Uiso 0.549(7) 1 calc PR B 1
C36 C 0.846(2) -0.0654(9) 0.4054(10) 0.131(3) Uani 0.549(7) 1 d PDU B 1
H36A H 0.8079 -0.1143 0.4012 0.157 Uiso 0.549(7) 1 calc PR B 1
H36B H 0.9169 -0.0623 0.4435 0.157 Uiso 0.549(7) 1 calc PR B 1
H36C H 0.8887 -0.0541 0.3692 0.157 Uiso 0.549(7) 1 calc PR B 1
C11' C 0.7940(10) 0.0870(4) 0.3827(4) 0.0984(9) Uani 0.451(7) 1 d PDU B 2
O5' O 0.6694(13) 0.0805(7) 0.3823(7) 0.121(3) Uani 0.451(7) 1 d PDU B 2
O4' O 0.8833(13) 0.0402(6) 0.4098(7) 0.1086(17) Uani 0.451(7) 1 d PDU B 2
C35' C 0.826(2) -0.0314(9) 0.4379(11) 0.114(2) Uani 0.451(7) 1 d PDU B 2
H35C H 0.7882 -0.0202 0.4761 0.136 Uiso 0.451(7) 1 calc PR B 2
H35D H 0.7511 -0.0540 0.4070 0.136 Uiso 0.451(7) 1 calc PR B 2
C36' C 0.934(2) -0.0736(9) 0.4507(12) 0.129(4) Uani 0.451(7) 1 d PDU B 2
H36D H 0.9027 -0.1230 0.4560 0.155 Uiso 0.451(7) 1 calc PR B 2
H36E H 0.9935 -0.0575 0.4893 0.155 Uiso 0.451(7) 1 calc PR B 2
H36F H 0.9858 -0.0719 0.4163 0.155 Uiso 0.451(7) 1 calc PR B 2
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'
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
O7 Co1 O1 130.52(12) 4_576 .
O7 Co1 O3 119.34(11) 4_576 3_766
O1 Co1 O3 109.31(11) . 3_766
O7 Co1 N1 89.11(12) 4_576 .
O1 Co1 N1 95.80(12) . .
O3 Co1 N1 94.60(12) 3_766 .
O7 Co1 O1W 85.94(10) 4_576 .
O1 Co1 O1W 86.88(10) . .
O3 Co1 O1W 88.49(9) 3_766 .
N1 Co1 O1W 174.99(11) . .
O2 Co2 O8 131.14(12) 2_755 3_775
O2 Co2 O6 119.06(11) 2_755 .
O8 Co2 O6 108.21(11) 3_775 .
O2 Co2 N2 92.02(11) 2_755 .
O8 Co2 N2 99.01(11) 3_775 .
O6 Co2 N2 91.09(11) . .
O2 Co2 O1W 85.16(9) 2_755 4_675
O8 Co2 O1W 85.71(10) 3_775 4_675
O6 Co2 O1W 86.95(9) . 4_675
N2 Co2 O1W 175.25(11) . 4_675
O2 P1 O1 112.24(16) . .
O2 P1 O3 113.14(15) . .
O1 P1 O3 111.70(14) . .
O2 P1 C1 106.16(16) . .
O1 P1 C1 108.53(17) . .
O3 P1 C1 104.50(16) . .
O7 P2 O8 112.36(16) . .
O7 P2 O6 113.69(15) . .
O8 P2 O6 111.58(14) . .
O7 P2 C12 105.92(16) . .
O8 P2 C12 107.85(16) . .
O6 P2 C12 104.81(15) . .
P1 O1 Co1 125.52(16) . .
P1 O2 Co2 144.49(16) . 2_745
P1 O3 Co1 134.15(15) . 3_766
P2 O6 Co2 135.65(15) . .
P2 O7 Co1 144.15(16) . 4_675
P2 O8 Co2 123.83(15) . 3_775
C22 O10 C33 119.2(5) . .
Co1 O1W Co2 111.39(11) . 4_576
Co1 O1W H1A 123.0 . .
Co2 O1W H1A 94.4 4_576 .
Co1 O1W H1B 100.4 . .
Co2 O1W H1B 118.5 4_576 .
H1A O1W H1B 110.5 . .
C27 N1 C23 117.0(3) . .
C27 N1 Co1 124.0(3) . .
C23 N1 Co1 118.8(3) . .
C32 N2 C30 116.6(3) . .
C32 N2 Co2 125.3(3) . .
C30 N2 Co2 117.9(2) . .
C2 C1 C10 118.4(4) . .
C2 C1 P1 118.4(3) . .
C10 C1 P1 123.0(3) . .
C1 C2 C3 121.6(5) . .
C1 C2 H2 119.2 . .
C3 C2 H2 119.2 . .
C4 C3 C2 121.9(6) . .
C4 C3 H3 119.0 . .
C2 C3 H3 119.0 . .
C3 C4 C5 119.6(6) . .
C3 C4 C11 117.4(7) . .
C5 C4 C11 123.0(6) . .
C6 C5 C4 121.9(5) . .
C6 C5 C10 118.8(5) . .
C4 C5 C10 119.3(5) . .
C7 C6 C5 120.6(6) . .
C7 C6 H6 119.7 . .
C5 C6 H6 119.7 . .
C6 C7 C8 122.2(5) . .
C6 C7 H7 118.9 . .
C8 C7 H7 118.9 . .
C9 C8 C7 119.8(6) . .
C9 C8 H8 120.1 . .
C7 C8 H8 120.1 . .
C8 C9 C10 119.4(5) . .
C8 C9 H9 120.3 . .
C10 C9 H9 120.3 . .
C9 C10 C5 119.0(4) . .
C9 C10 C1 121.9(4) . .
C5 C10 C1 119.1(4) . .
C13 C12 C21 119.6(3) . .
C13 C12 P2 119.6(3) . .
C21 C12 P2 120.8(3) . .
C12 C13 C14 120.8(4) . .
C12 C13 H13 119.6 . .
C14 C13 H13 119.6 . .
C15 C14 C13 121.5(4) . .
C15 C14 H14 119.3 . .
C13 C14 H14 119.3 . .
C14 C15 C16 120.1(4) . .
C14 C15 C22 117.9(4) . .
C16 C15 C22 122.0(4) . .
C17 C16 C15 123.8(4) . .
C17 C16 C21 117.6(4) . .
C15 C16 C21 118.6(4) . .
C18 C17 C16 121.5(5) . .
C18 C17 H17 119.2 . .
C16 C17 H17 119.2 . .
C17 C18 C19 121.0(5) . .
C17 C18 H18 119.5 . .
C19 C18 H18 119.5 . .
C20 C19 C18 119.7(5) . .
C20 C19 H19 120.2 . .
C18 C19 H19 120.2 . .
C19 C20 C21 121.4(4) . .
C19 C20 H20 119.3 . .
C21 C20 H20 119.3 . .
C20 C21 C16 118.7(4) . .
C20 C21 C12 122.2(4) . .
C16 C21 C12 119.2(4) . .
O9' C22 O9 39.9(9) . .
O9' C22 O10 113.2(9) . .
O9 C22 O10 122.8(6) . .
O9' C22 C15 124.7(9) . .
O9 C22 C15 122.9(6) . .
O10 C22 C15 113.0(4) . .
N1 C23 C24 123.2(4) . .
N1 C23 H23 118.4 . .
C24 C23 H23 118.4 . .
C23 C24 C25 119.7(4) . .
C23 C24 H24 120.1 . .
C25 C24 H24 120.1 . .
C26 C25 C24 116.8(3) . .
C26 C25 C28 121.7(4) . .
C24 C25 C28 121.4(4) . .
C25 C26 C27 120.0(4) . .
C25 C26 H26 120.0 . .
C27 C26 H26 120.0 . .
N1 C27 C26 123.3(4) . .
N1 C27 H27 118.4 . .
C26 C27 H27 118.4 . .
C29 C28 C31 117.0(3) . .
C29 C28 C25 119.8(4) . .
C31 C28 C25 123.1(4) . .
C30 C29 C28 119.8(4) . .
C30 C29 H29 120.1 . .
C28 C29 H29 120.1 . .
N2 C30 C29 123.7(4) . .
N2 C30 H30 118.2 . .
C29 C30 H30 118.2 . .
C32 C31 C28 119.2(4) . .
C32 C31 H31 120.4 . .
C28 C31 H31 120.4 . .
N2 C32 C31 123.7(4) . .
N2 C32 H32 118.2 . .
C31 C32 H32 118.2 . .
O10 C33 C34 109.4(7) . .
O10 C33 H33A 109.8 . .
C34 C33 H33A 109.8 . .
O10 C33 H33B 109.8 . .
C34 C33 H33B 109.8 . .
H33A C33 H33B 108.2 . .
C33 C34 H34A 109.5 . .
C33 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C33 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O5 C11 O4 125.6(9) . .
O5 C11 C4 121.8(9) . .
O4 C11 C4 112.3(8) . .
C11 O4 C35 93.8(10) . .
C36 C35 O4 103.5(13) . .
C36 C35 H35A 111.1 . .
O4 C35 H35A 111.1 . .
C36 C35 H35B 111.1 . .
O4 C35 H35B 111.1 . .
H35A C35 H35B 109.0 . .
C35 C36 H36A 109.5 . .
C35 C36 H36B 109.5 . .
H36A C36 H36B 109.5 . .
C35 C36 H36C 109.5 . .
H36A C36 H36C 109.5 . .
H36B C36 H36C 109.5 . .
C36' C35' O4' 104.6(14) . .
C36' C35' H35C 110.8 . .
O4' C35' H35C 110.8 . .
C36' C35' H35D 110.8 . .
O4' C35' H35D 110.8 . .
H35C C35' H35D 108.9 . .
C35' C36' H36D 109.5 . .
C35' C36' H36E 109.5 . .
H36D C36' H36E 109.5 . .
C35' C36' H36F 109.5 . .
H36D C36' H36F 109.5 . .
H36E C36' H36F 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Co1 O7 1.941(3) 4_576
Co1 O1 1.979(3) .
Co1 O3 1.990(3) 3_766
Co1 N1 2.125(3) .
Co1 O1W 2.301(2) .
Co2 O2 1.949(3) 2_755
Co2 O8 1.975(2) 3_775
Co2 O6 1.980(2) .
Co2 N2 2.134(3) .
Co2 O1W 2.330(2) 4_675
P1 O2 1.511(3) .
P1 O1 1.521(3) .
P1 O3 1.532(3) .
P1 C1 1.818(4) .
P2 O7 1.512(3) .
P2 O8 1.516(3) .
P2 O6 1.532(3) .
P2 C12 1.813(4) .
O2 Co2 1.949(3) 2_745
O3 Co1 1.990(3) 3_766
O7 Co1 1.941(3) 4_675
O8 Co2 1.975(2) 3_775
O9 C22 1.245(8) .
O9' C22 1.239(10) .
O10 C22 1.318(7) .
O10 C33 1.439(7) .
O1W Co2 2.330(2) 4_576
O1W H1A 0.8501 .
O1W H1B 0.8500 .
N1 C27 1.328(5) .
N1 C23 1.336(5) .
N2 C32 1.334(5) .
N2 C30 1.334(5) .
C1 C2 1.370(6) .
C1 C10 1.437(5) .
C2 C3 1.394(7) .
C2 H2 0.9300 .
C3 C4 1.348(9) .
C3 H3 0.9300 .
C4 C5 1.417(9) .
C4 C11 1.545(10) .
C5 C6 1.413(7) .
C5 C10 1.432(6) .
C6 C7 1.306(9) .
C6 H6 0.9300 .
C7 C8 1.414(9) .
C7 H7 0.9300 .
C8 C9 1.379(7) .
C8 H8 0.9300 .
C9 C10 1.404(7) .
C9 H9 0.9300 .
C12 C13 1.371(5) .
C12 C21 1.437(5) .
C13 C14 1.401(5) .
C13 H13 0.9300 .
C14 C15 1.367(6) .
C14 H14 0.9300 .
C15 C16 1.427(6) .
C15 C22 1.485(6) .
C16 C17 1.415(7) .
C16 C21 1.431(6) .
C17 C18 1.360(8) .
C17 H17 0.9300 .
C18 C19 1.392(8) .
C18 H18 0.9300 .
C19 C20 1.364(6) .
C19 H19 0.9300 .
C20 C21 1.417(6) .
C20 H20 0.9300 .
C23 C24 1.383(5) .
C23 H23 0.9300 .
C24 C25 1.387(6) .
C24 H24 0.9300 .
C25 C26 1.379(6) .
C25 C28 1.487(5) .
C26 C27 1.384(6) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C29 1.385(6) .
C28 C31 1.386(6) .
C29 C30 1.373(5) .
C29 H29 0.9300 .
C30 H30 0.9300 .
C31 C32 1.384(6) .
C31 H31 0.9300 .
C32 H32 0.9300 .
C33 C34 1.450(11) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 H34A 0.9600 .
C34 H34B 0.9600 .
C34 H34C 0.9600 .
C11 O5 1.174(9) .
C11 O4 1.267(10) .
O4 C35 1.583(13) .
C35 C36 1.276(18) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9600 .
C36 H36B 0.9600 .
C36 H36C 0.9600 .
O4' C35' 1.577(14) .
C35' C36' 1.276(19) .
C35' H35C 0.9700 .
C35' H35D 0.9700 .
C36' H36D 0.9600 .
C36' H36E 0.9600 .
C36' H36F 0.9600 .
