#------------------------------------------------------------------------------
#$Date: 2019-12-09 10:58:26 +0200 (Mon, 09 Dec 2019) $
#$Revision: 244953 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/64/1556467.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_1556467
loop_
_publ_author_name
'Casey, W.H.'
'Olmstead, M.M.'
'Hazlett, C.R.'
'Lamar, C.'
'Forbes, T.Z.'
_publ_section_title
;
 A New Nanometer-Sized Ga(III)-Oxyhydroxide Cation
;
_journal_name_full               Inorganics
_journal_page_first              21
_journal_page_last               26
_journal_paper_doi               10.3390/inorganics3010021
_journal_volume                  3
_journal_year                    2015
_chemical_formula_moiety         'C23  H43  Co1  I2  P2  N1  O1'
_chemical_formula_sum            'C23 H43 Co I2 N O P2'
_chemical_formula_weight         724.25
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                94.440(7)
_cell_angle_beta                 91.523(6)
_cell_angle_gamma                97.826(7)
_cell_formula_units_Z            4
_cell_length_a                   12.1981(17)
_cell_length_b                   15.362(2)
_cell_length_c                   16.187(2)
_cell_measurement_reflns_used    21314
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      28.00
_cell_measurement_theta_min      3.00
_cell_measurement_wavelength     0.71075
_cell_volume                     2993.9(7)
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.998
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0857
_diffrn_reflns_Laue_measured_fraction_full 0.973
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25570
_diffrn_reflns_point_group_measured_fraction_full 0.973
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         24.998
_diffrn_reflns_theta_min         2.985
_exptl_absorpt_coefficient_mu    2.757
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.608
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.607
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1436
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.756
_refine_diff_density_min         -1.051
_refine_diff_density_rms         0.184
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.078
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     563
_refine_ls_number_reflns         10539
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.077
_refine_ls_R_factor_all          0.126
_refine_ls_R_factor_gt           0.0843
_refine_ls_shift/su_max          0.064
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0736P)²+43.1152P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2068
_refine_ls_wR_factor_ref         0.2291
_reflns_number_gt                7046
_reflns_number_total             10539
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Inorganics-205-3-21-_1_.cif
_cod_data_source_block           shelx-3
_cod_database_code               1556467
_shelx_estimated_absorpt_t_min   0.57
_shelx_estimated_absorpt_t_max   0.716
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
I1 I 0.88080(7) 0.44010(5) 0.24658(5) 0.0411(3) Uani 1 d . .
I2 I 0.83430(18) 0.63510(11) 0.10749(8) 0.0531(5) Uani 0.856(4) d A 1
I3 I 0.66685(8) 0.64643(6) 0.64846(6) 0.0477(3) Uani 1 d . .
I4 I 0.7372(2) 0.92943(16) 0.65330(17) 0.0650(8) Uani 0.646(2) d B 1
Co1 Co 0.90800(16) 0.62463(12) 0.25503(11) 0.0416(5) Uani 1 d . .
Co2 Co 0.64627(15) 0.80057(12) 0.73503(14) 0.0506(5) Uani 1 d . .
P1 P 0.7531(3) 0.6645(2) 0.3241(2) 0.0366(8) Uani 1 d . .
P2 P 1.0986(3) 0.6471(3) 0.2232(2) 0.0482(9) Uani 1 d . .
P3 P 0.4549(3) 0.8281(2) 0.7211(2) 0.0381(8) Uani 1 d . .
P4 P 0.7932(3) 0.8143(2) 0.8556(2) 0.0397(8) Uani 1 d . .
O1 O 0.960(2) -0.081(2) 0.456(2) 0.216(13) Uani 1 d . .
N1 N 0.9776(8) 0.6303(6) 0.3718(6) 0.034(2) Uani 1 d . .
N2 N 0.5665(8) 0.7140(6) 0.8278(6) 0.034(2) Uani 1 d . .
C1 C 0.8213(11) 0.6958(9) 0.4266(8) 0.043(3) Uani 1 d . .
H1A H 0.8416 0.7593 0.433 0.052 Uiso 1 calc . .
H1B H 0.7692 0.6797 0.4689 0.052 Uiso 1 calc . .
C2 C 0.9213(11) 0.6535(8) 0.4398(8) 0.039(3) Uani 1 d . .
C3 C 0.9613(12) 0.6414(10) 0.5187(8) 0.051(4) Uani 1 d . .
H3 H 0.9213 0.6552 0.5649 0.061 Uiso 1 calc . .
C4 C 1.0590(14) 0.6094(10) 0.5286(9) 0.060(4) Uani 1 d . .
H4 H 1.0852 0.5999 0.5811 0.072 Uiso 1 calc . .
C5 C 1.1188(12) 0.5912(10) 0.4599(9) 0.053(4) Uani 1 d . .
H5 H 1.1866 0.5707 0.4659 0.064 Uiso 1 calc . .
C6 C 1.0784(11) 0.6034(8) 0.3835(9) 0.042(3) Uani 1 d . .
C7 C 1.1419(11) 0.5856(9) 0.3071(9) 0.044(3) Uani 1 d . .
H7A H 1.1295 0.5231 0.29 0.052 Uiso 1 calc . .
H7B H 1.2205 0.6026 0.3196 0.052 Uiso 1 calc . .
C8 C 0.6323(11) 0.5802(8) 0.3461(8) 0.045(3) Uani 1 d . .
C9 C 0.5897(13) 0.5317(10) 0.2606(10) 0.061(4) Uani 1 d . .
H9A H 0.6499 0.5091 0.2332 0.073 Uiso 1 calc . .
H9B H 0.5328 0.4839 0.2692 0.073 Uiso 1 calc . .
H9C H 0.56 0.5724 0.227 0.073 Uiso 1 calc . .
C10 C 0.5389(12) 0.6171(10) 0.3914(11) 0.061(4) Uani 1 d . .
H10A H 0.5119 0.6607 0.36 0.073 Uiso 1 calc . .
H10B H 0.4799 0.5702 0.3979 0.073 Uiso 1 calc . .
H10C H 0.566 0.6435 0.4451 0.073 Uiso 1 calc . .
C11A C 0.677(4) 0.521(3) 0.408(2) 0.044(5) Uiso 0.5 d . .
C11B C 0.675(4) 0.510(3) 0.397(3) 0.044(5) Uiso 0.5 d . .
C12 C 0.7047(13) 0.7699(9) 0.2951(10) 0.053(4) Uani 1 d . .
C13 C 0.8063(15) 0.8276(9) 0.2679(11) 0.068(5) Uani 1 d . .
H13A H 0.8611 0.8381 0.3126 0.082 Uiso 1 calc . .
H13B H 0.8361 0.7983 0.2208 0.082 Uiso 1 calc . .
H13C H 0.786 0.8827 0.2532 0.082 Uiso 1 calc . .
C14 C 0.6163(13) 0.7523(10) 0.2247(10) 0.061(4) Uani 1 d . .
H14A H 0.5526 0.7158 0.2427 0.073 Uiso 1 calc . .
H14B H 0.5955 0.8072 0.2099 0.073 Uiso 1 calc . .
H14C H 0.6455 0.7228 0.1775 0.073 Uiso 1 calc . .
C15 C 0.6602(14) 0.8223(10) 0.3694(11) 0.067(5) Uani 1 d . .
H15A H 0.5955 0.7884 0.3889 0.081 Uiso 1 calc . .
H15B H 0.7161 0.8341 0.4132 0.081 Uiso 1 calc . .
H15C H 0.6415 0.877 0.3521 0.081 Uiso 1 calc . .
C16 C 1.1622(14) 0.5936(11) 0.1305(10) 0.061(4) Uani 1 d . .
C17 C 1.2839(16) 0.5772(16) 0.1471(13) 0.100(7) Uani 1 d . .
H17A H 1.3294 0.6323 0.1629 0.12 Uiso 1 calc . .
H17B H 1.2862 0.5387 0.191 0.12 Uiso 1 calc . .
H17C H 1.3112 0.5503 0.0977 0.12 Uiso 1 calc . .
C18 C 1.1591(18) 0.6498(14) 0.0568(11) 0.090(6) Uani 1 d . .
H18A H 1.2019 0.7065 0.0708 0.109 Uiso 1 calc . .
H18B H 1.1896 0.6211 0.0098 0.109 Uiso 1 calc . .
H18C H 1.0839 0.6571 0.0437 0.109 Uiso 1 calc . .
C19 C 1.0938(15) 0.5050(11) 0.1058(11) 0.073(5) Uani 1 d . .
H19A H 1.0943 0.4681 0.1511 0.087 Uiso 1 calc . .
H19B H 1.0191 0.5133 0.0923 0.087 Uiso 1 calc . .
H19C H 1.1248 0.4773 0.0584 0.087 Uiso 1 calc . .
C20 C 1.1649(16) 0.7640(10) 0.2460(12) 0.070(5) Uani 1 d . .
C21 C 1.2889(16) 0.7792(14) 0.2404(17) 0.112(9) Uani 1 d . .
H21A H 1.3215 0.7429 0.277 0.135 Uiso 1 calc . .
H21B H 1.3085 0.7644 0.1845 0.135 Uiso 1 calc . .
H21C H 1.3158 0.8401 0.2559 0.135 Uiso 1 calc . .
C22 C 1.113(2) 0.8224(12) 0.1871(14) 0.100(7) Uani 1 d . .
H22A H 1.0337 0.8128 0.1906 0.12 Uiso 1 calc . .
H22B H 1.1398 0.8833 0.2027 0.12 Uiso 1 calc . .
H22C H 1.1324 0.8075 0.1312 0.12 Uiso 1 calc . .
C23 C 1.1373(14) 0.7987(9) 0.3344(11) 0.067(5) Uani 1 d . .
H23A H 1.0586 0.79 0.3402 0.08 Uiso 1 calc . .
H23B H 1.1717 0.7672 0.3746 0.08 Uiso 1 calc . .
H23C H 1.1647 0.8605 0.3433 0.08 Uiso 1 calc . .
C24 C 0.3882(11) 0.7275(9) 0.7616(9) 0.046(3) Uani 1 d . .
H24A H 0.3178 0.7385 0.7837 0.055 Uiso 1 calc . .
H24B H 0.373 0.6821 0.7162 0.055 Uiso 1 calc . .
C25 C 0.4552(10) 0.6937(8) 0.8282(8) 0.036(3) Uani 1 d . .
C26 C 0.4052(11) 0.6409(9) 0.8862(9) 0.044(3) Uani 1 d . .
H26 H 0.3284 0.6302 0.8871 0.053 Uiso 1 calc . .
C27 C 0.4676(14) 0.6047(10) 0.9418(9) 0.059(4) Uani 1 d . .
H27 H 0.4344 0.5677 0.9796 0.071 Uiso 1 calc . .
C28 C 0.5820(12) 0.6244(9) 0.9406(8) 0.048(3) Uani 1 d . .
H28 H 0.6268 0.6009 0.978 0.058 Uiso 1 calc . .
C29 C 0.6284(11) 0.6790(7) 0.8838(8) 0.036(3) Uani 1 d . .
C30 C 0.7530(11) 0.7020(8) 0.8795(9) 0.043(3) Uani 1 d . .
H30A H 0.7798 0.6625 0.8375 0.052 Uiso 1 calc . .
H30B H 0.7875 0.6932 0.9324 0.052 Uiso 1 calc . .
C31 C 0.3861(11) 0.8292(10) 0.6154(9) 0.050(4) Uani 1 d . .
C32 C 0.4409(16) 0.7625(11) 0.5576(10) 0.071(5) Uani 1 d . .
H32A H 0.4293 0.7054 0.5786 0.085 Uiso 1 calc . .
H32B H 0.4082 0.7591 0.5026 0.085 Uiso 1 calc . .
H32C H 0.519 0.7822 0.556 0.085 Uiso 1 calc . .
C33A C 0.413(4) 0.914(3) 0.575(3) 0.053(15) Uiso 0.5 d . .
H33A H 0.4582 0.9038 0.528 0.08 Uiso 0.5 calc . .
H33B H 0.3458 0.9331 0.5562 0.08 Uiso 0.5 calc . .
H33C H 0.4527 0.9577 0.6137 0.08 Uiso 0.5 calc . .
C33B C 0.399(4) 0.921(3) 0.589(3) 0.054(15) Uiso 0.5 d . .
H33D H 0.3595 0.9569 0.6258 0.081 Uiso 0.5 calc . .
H33E H 0.4757 0.9449 0.5911 0.081 Uiso 0.5 calc . .
H33F H 0.3687 0.9203 0.5336 0.081 Uiso 0.5 calc . .
C34 C 0.2585(14) 0.7931(12) 0.6141(12) 0.073(5) Uani 1 d . .
H34A H 0.2486 0.734 0.6308 0.087 Uiso 1 calc . .
H34B H 0.2219 0.8301 0.6516 0.087 Uiso 1 calc . .
H34C H 0.2274 0.7932 0.559 0.087 Uiso 1 calc . .
C35 C 0.4160(11) 0.9201(10) 0.7924(11) 0.058(4) Uani 1 d . .
C36 C 0.4398(14) 0.8995(11) 0.8812(10) 0.068(5) Uani 1 d . .
H36A H 0.395 0.8456 0.8923 0.082 Uiso 1 calc . .
H36B H 0.5167 0.8931 0.8882 0.082 Uiso 1 calc . .
H36C H 0.4228 0.9467 0.9189 0.082 Uiso 1 calc . .
C37 C 0.4893(14) 1.0062(9) 0.7781(12) 0.073(5) Uani 1 d . .
H37A H 0.4764 1.0212 0.7225 0.087 Uiso 1 calc . .
H37B H 0.4719 1.0525 0.8167 0.087 Uiso 1 calc . .
H37C H 0.5657 0.9989 0.786 0.087 Uiso 1 calc . .
C38A C 0.2969(19) 0.939(3) 0.778(3) 0.054(6) Uiso 0.5 d . .
H38A H 0.2862 0.9516 0.7213 0.081 Uiso 0.5 calc . .
H38B H 0.2458 0.8886 0.7893 0.081 Uiso 0.5 calc . .
H38C H 0.2842 0.989 0.8141 0.081 Uiso 0.5 calc . .
C38B C 0.2918(18) 0.928(3) 0.794(3) 0.054(6) Uiso 0.5 d . .
H38D H 0.2666 0.9412 0.7399 0.081 Uiso 0.5 calc . .
H38E H 0.2514 0.8734 0.8076 0.081 Uiso 0.5 calc . .
H38F H 0.2797 0.9745 0.8341 0.081 Uiso 0.5 calc . .
C39 C 0.9391(10) 0.8188(9) 0.8235(9) 0.046(3) Uani 1 d . .
C40 C 1.0140(12) 0.7751(10) 0.8806(10) 0.058(4) Uani 1 d . .
H40A H 1.0165 0.804 0.9355 0.069 Uiso 1 calc . .
H40B H 0.9849 0.714 0.8822 0.069 Uiso 1 calc . .
H40C H 1.0873 0.78 0.8597 0.069 Uiso 1 calc . .
C41 C 0.9866(12) 0.9160(11) 0.8135(11) 0.066(5) Uani 1 d . .
H41A H 0.9893 0.9495 0.8663 0.079 Uiso 1 calc . .
H41B H 1.06 0.9186 0.7929 0.079 Uiso 1 calc . .
H41C H 0.94 0.9401 0.7751 0.079 Uiso 1 calc . .
C42 C 0.9378(11) 0.7706(9) 0.7371(10) 0.051(4) Uani 1 d . .
H42A H 0.8914 0.7965 0.6998 0.062 Uiso 1 calc . .
H42B H 1.0117 0.7755 0.7174 0.062 Uiso 1 calc . .
H42C H 0.9093 0.7095 0.7398 0.062 Uiso 1 calc . .
C43 C 0.7874(11) 0.8852(9) 0.9558(9) 0.049(4) Uani 1 d . .
C44 C 0.6853(13) 0.8471(10) 1.0013(9) 0.055(4) Uani 1 d . .
H44A H 0.6924 0.788 1.0138 0.066 Uiso 1 calc . .
H44B H 0.6795 0.8829 1.0518 0.066 Uiso 1 calc . .
H44C H 0.62 0.8466 0.9666 0.066 Uiso 1 calc . .
C45A C 0.895(2) 0.891(3) 1.008(2) 0.052(5) Uiso 0.5 d . .
H45A H 0.9067 0.8336 1.0219 0.079 Uiso 0.5 calc . .
H45B H 0.9563 0.9158 0.9766 0.079 Uiso 0.5 calc . .
H45C H 0.891 0.9287 1.0578 0.079 Uiso 0.5 calc . .
C45B C 0.880(3) 0.883(3) 1.020(2) 0.052(5) Uiso 0.5 d . .
H45D H 0.8847 0.8227 1.0306 0.079 Uiso 0.5 calc . .
H45E H 0.949 0.9088 0.9995 0.079 Uiso 0.5 calc . .
H45F H 0.8649 0.9152 1.0706 0.079 Uiso 0.5 calc . .
C46 C 0.7755(15) 0.9785(9) 0.9363(11) 0.067(5) Uani 1 d . .
H46A H 0.7164 0.977 0.8956 0.08 Uiso 1 calc . .
H46B H 0.7592 1.012 0.9859 0.08 Uiso 1 calc . .
H46C H 0.8434 1.0055 0.9149 0.08 Uiso 1 calc . .
C47 C 0.943(3) 0.0029(15) 0.4319(17) 0.126(10) Uani 1 d . .
C48 C 1.021(4) -0.089(3) 0.516(2) 0.23(3) Uani 1 d . .
O2 O 0.722(3) 0.858(2) 0.808(2) 0.055(15) Uani 0.28(3) d B .
I2' I 0.7864(9) 0.6048(7) 0.0908(5) 0.0531(18) Uani 0.153(4) d A 2
I4' I 0.7200(4) 0.9167(4) 0.6172(4) 0.0650(10) Uani 0.315(4) d 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 0 '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'
I I -0.4742 1.8119 '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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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
N1 Co1 P1 84.2(3) . .
N1 Co1 P2 80.4(3) . .
P1 Co1 P2 152.64(16) . .
N1 Co1 I2 173.3(3) . .
P1 Co1 I2 97.17(11) . .
P2 Co1 I2 95.74(12) . .
N1 Co1 I1 90.2(3) . .
P1 Co1 I1 105.05(11) . .
P2 Co1 I1 97.51(11) . .
I2 Co1 I1 95.76(8) . .
N1 Co1 I2' 174.1(4) . .
P1 Co1 I2' 92.00(19) . .
P2 Co1 I2' 104.8(2) . .
I1 Co1 I2' 86.5(2) . .
O2 Co2 N2 90.0(12) . .
O2 Co2 P3 117.1(14) . .
N2 Co2 P3 79.2(3) . .
O2 Co2 P4 28.6(13) . .
N2 Co2 P4 75.9(3) . .
P3 Co2 P4 135.46(15) . .
O2 Co2 I4 80.0(12) . .
N2 Co2 I4 167.1(3) . .
P3 Co2 I4 98.01(12) . .
P4 Co2 I4 98.20(12) . .
O2 Co2 I3 131.7(14) . .
N2 Co2 I3 84.1(3) . .
P3 Co2 I3 108.80(11) . .
P4 Co2 I3 104.72(10) . .
I4 Co2 I3 108.58(10) . .
O2 Co2 I4' 92.5(12) . .
N2 Co2 I4' 172.7(3) . .
P3 Co2 I4' 93.52(14) . .
P4 Co2 I4' 109.26(14) . .
I3 Co2 I4' 99.20(16) . .
C1 P1 C12 103.2(7) . .
C1 P1 C8 103.4(6) . .
C12 P1 C8 111.1(6) . .
C1 P1 Co1 97.6(5) . .
C12 P1 Co1 115.8(5) . .
C8 P1 Co1 121.8(4) . .
C7 P2 C20 106.9(7) . .
C7 P2 C16 102.2(7) . .
C20 P2 C16 110.6(8) . .
C7 P2 Co1 94.3(4) . .
C20 P2 Co1 113.2(6) . .
C16 P2 Co1 125.8(6) . .
C24 P3 C35 105.0(7) . .
C24 P3 C31 104.6(7) . .
C35 P3 C31 109.8(7) . .
C24 P3 Co2 98.3(5) . .
C35 P3 Co2 115.7(5) . .
C31 P3 Co2 120.7(4) . .
O2 P4 C30 121.0(15) . .
O2 P4 C39 117.0(15) . .
C30 P4 C39 105.0(6) . .
O2 P4 C43 96.7(15) . .
C30 P4 C43 106.2(7) . .
C39 P4 C43 109.9(6) . .
O2 P4 Co2 33.2(14) . .
C30 P4 Co2 92.6(5) . .
C39 P4 Co2 115.2(5) . .
C43 P4 Co2 124.0(4) . .
C48 O1 C47 122(4) . .
C2 N1 C6 118.4(11) . .
C2 N1 Co1 121.3(8) . .
C6 N1 Co1 120.0(8) . .
C25 N2 C29 118.1(10) . .
C25 N2 Co2 120.9(8) . .
C29 N2 Co2 121.0(8) . .
C2 C1 P1 113.2(9) . .
C2 C1 H1A 108.9 . .
P1 C1 H1A 108.9 . .
C2 C1 H1B 108.9 . .
P1 C1 H1B 108.9 . .
H1A C1 H1B 107.7 . .
N1 C2 C3 120.2(13) . .
N1 C2 C1 117.7(11) . .
C3 C2 C1 122.0(13) . .
C4 C3 C2 120.1(14) . .
C4 C3 H3 119.9 . .
C2 C3 H3 119.9 . .
C3 C4 C5 119.3(14) . .
C3 C4 H4 120.3 . .
C5 C4 H4 120.3 . .
C6 C5 C4 119.7(14) . .
C6 C5 H5 120.1 . .
C4 C5 H5 120.1 . .
C5 C6 N1 121.9(13) . .
C5 C6 C7 121.4(13) . .
N1 C6 C7 116.7(11) . .
C6 C7 P2 110.7(9) . .
C6 C7 H7A 109.5 . .
P2 C7 H7A 109.5 . .
C6 C7 H7B 109.5 . .
P2 C7 H7B 109.5 . .
H7A C7 H7B 108.1 . .
C10 C8 C11B 109(2) . .
C10 C8 C11A 104(2) . .
C11B C8 C11A 9(3) . .
C10 C8 C9 110.9(12) . .
C11B C8 C9 106(2) . .
C11A C8 C9 115(2) . .
C10 C8 P1 115.1(9) . .
C11B C8 P1 109(2) . .
C11A C8 P1 106(2) . .
C9 C8 P1 106.4(9) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C13 C12 C14 110.3(14) . .
C13 C12 C15 106.3(12) . .
C14 C12 C15 109.5(13) . .
C13 C12 P1 106.3(10) . .
C14 C12 P1 111.3(10) . .
C15 C12 P1 112.9(11) . .
C12 C13 H13A 109.5 . .
C12 C13 H13B 109.5 . .
H13A C13 H13B 109.5 . .
C12 C13 H13C 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
C12 C14 H14A 109.5 . .
C12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C12 C15 H15A 109.5 . .
C12 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C12 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C19 C16 C18 107.6(16) . .
C19 C16 C17 107.6(15) . .
C18 C16 C17 108.7(15) . .
C19 C16 P2 108.6(10) . .
C18 C16 P2 110.3(12) . .
C17 C16 P2 113.8(13) . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C16 C19 H19A 109.5 . .
C16 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C16 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C21 C20 C22 109.4(16) . .
C21 C20 C23 107.3(17) . .
C22 C20 C23 105.3(15) . .
C21 C20 P2 115.4(13) . .
C22 C20 P2 108.9(14) . .
C23 C20 P2 110.1(10) . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
C20 C22 H22A 109.5 . .
C20 C22 H22B 109.5 . .
H22A C22 H22B 109.5 . .
C20 C22 H22C 109.5 . .
H22A C22 H22C 109.5 . .
H22B C22 H22C 109.5 . .
C20 C23 H23A 109.5 . .
C20 C23 H23B 109.5 . .
H23A C23 H23B 109.5 . .
C20 C23 H23C 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
C25 C24 P3 114.2(9) . .
C25 C24 H24A 108.7 . .
P3 C24 H24A 108.7 . .
C25 C24 H24B 108.7 . .
P3 C24 H24B 108.7 . .
H24A C24 H24B 107.6 . .
N2 C25 C26 121.2(12) . .
N2 C25 C24 117.4(11) . .
C26 C25 C24 121.3(12) . .
C27 C26 C25 120.6(13) . .
C27 C26 H26 119.7 . .
C25 C26 H26 119.7 . .
C26 C27 C28 118.2(13) . .
C26 C27 H27 120.9 . .
C28 C27 H27 120.9 . .
C29 C28 C27 119.4(14) . .
C29 C28 H28 120.3 . .
C27 C28 H28 120.3 . .
N2 C29 C28 122.3(12) . .
N2 C29 C30 116.2(10) . .
C28 C29 C30 121.4(12) . .
C29 C30 P4 112.3(8) . .
C29 C30 H30A 109.1 . .
P4 C30 H30A 109.1 . .
C29 C30 H30B 109.1 . .
P4 C30 H30B 109.1 . .
H30A C30 H30B 107.9 . .
C33B C31 C33A 12(3) . .
C33B C31 C32 115(2) . .
C33A C31 C32 102(2) . .
C33B C31 C34 108(2) . .
C33A C31 C34 114(2) . .
C32 C31 C34 106.4(13) . .
C33B C31 P3 110(2) . .
C33A C31 P3 114.9(19) . .
C32 C31 P3 105.3(10) . .
C34 C31 P3 112.3(10) . .
C31 C32 H32A 109.5 . .
C31 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
C31 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
C31 C33A H33A 109.5 . .
C31 C33A H33B 109.5 . .
H33A C33A H33B 109.5 . .
C31 C33A H33C 109.5 . .
H33A C33A H33C 109.5 . .
H33B C33A H33C 109.5 . .
C31 C33B H33D 109.5 . .
C31 C33B H33E 109.5 . .
H33D C33B H33E 109.5 . .
C31 C33B H33F 109.5 . .
H33D C33B H33F 109.5 . .
H33E C33B H33F 109.5 . .
C31 C34 H34A 109.5 . .
C31 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
C31 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C36 C35 C37 107.3(14) . .
C36 C35 C38A 113(2) . .
C37 C35 C38A 105(2) . .
C36 C35 C38B 102(2) . .
C37 C35 C38B 114(2) . .
C38A C35 C38B 12(3) . .
C36 C35 P3 107.9(10) . .
C37 C35 P3 109.7(11) . .
C38A C35 P3 114(2) . .
C38B C35 P3 116(2) . .
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 . .
C35 C37 H37A 109.5 . .
C35 C37 H37B 109.5 . .
H37A C37 H37B 109.5 . .
C35 C37 H37C 109.5 . .
H37A C37 H37C 109.5 . .
H37B C37 H37C 109.5 . .
C35 C38A H38A 109.5 . .
C35 C38A H38B 109.5 . .
H38A C38A H38B 109.5 . .
C35 C38A H38C 109.5 . .
H38A C38A H38C 109.5 . .
H38B C38A H38C 109.5 . .
C35 C38B H38D 109.5 . .
C35 C38B H38E 109.5 . .
H38D C38B H38E 109.5 . .
C35 C38B H38F 109.5 . .
H38D C38B H38F 109.5 . .
H38E C38B H38F 109.5 . .
C42 C39 C40 107.4(12) . .
C42 C39 C41 106.0(12) . .
C40 C39 C41 111.7(12) . .
C42 C39 P4 107.8(9) . .
C40 C39 P4 114.7(10) . .
C41 C39 P4 108.8(10) . .
C39 C40 H40A 109.5 . .
C39 C40 H40B 109.5 . .
H40A C40 H40B 109.5 . .
C39 C40 H40C 109.5 . .
H40A C40 H40C 109.5 . .
H40B C40 H40C 109.5 . .
C39 C41 H41A 109.5 . .
C39 C41 H41B 109.5 . .
H41A C41 H41B 109.5 . .
C39 C41 H41C 109.5 . .
H41A C41 H41C 109.5 . .
H41B C41 H41C 109.5 . .
C39 C42 H42A 109.5 . .
C39 C42 H42B 109.5 . .
H42A C42 H42B 109.5 . .
C39 C42 H42C 109.5 . .
H42A C42 H42C 109.5 . .
H42B C42 H42C 109.5 . .
C46 C43 C45B 112(2) . .
C46 C43 C45A 106(2) . .
C45B C43 C45A 11(3) . .
C46 C43 C44 109.2(13) . .
C45B C43 C44 101.7(19) . .
C45A C43 C44 113(2) . .
C46 C43 P4 109.2(10) . .
C45B C43 P4 116(2) . .
C45A C43 P4 111(2) . .
C44 C43 P4 107.9(9) . .
C43 C44 H44A 109.5 . .
C43 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
C43 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
C43 C45A H45A 109.5 . .
C43 C45A H45B 109.5 . .
H45A C45A H45B 109.5 . .
C43 C45A H45C 109.5 . .
H45A C45A H45C 109.5 . .
H45B C45A H45C 109.5 . .
C43 C45B H45D 109.5 . .
C43 C45B H45E 109.5 . .
H45D C45B H45E 109.5 . .
C43 C45B H45F 109.5 . .
H45D C45B H45F 109.5 . .
H45E C45B H45F 109.5 . .
C43 C46 H46A 109.5 . .
C43 C46 H46B 109.5 . .
H46A C46 H46B 109.5 . .
C43 C46 H46C 109.5 . .
H46A C46 H46C 109.5 . .
H46B C46 H46C 109.5 . .
O1 C47 C48 125(3) . 2_756
O1 C48 C47 113(4) . 2_756
P4 O2 Co2 118(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
I1 Co1 2.801(2) .
I2 Co1 2.554(2) .
I3 Co2 2.702(2) .
I4 Co2 2.605(3) .
Co1 N1 2.042(10) .
Co1 P1 2.348(4) .
Co1 P2 2.379(4) .
Co1 I2' 2.984(10) .
Co2 O2 1.61(4) .
Co2 N2 2.236(10) .
Co2 P3 2.436(4) .
Co2 P4 2.591(4) .
Co2 I4' 2.794(6) .
P1 C1 1.837(13) .
P1 C12 1.885(14) .
P1 C8 1.885(13) .
P2 C7 1.820(13) .
P2 C20 1.872(17) .
P2 C16 1.890(15) .
P3 C24 1.823(13) .
P3 C35 1.873(15) .
P3 C31 1.888(16) .
P4 O2 1.41(4) .
P4 C30 1.803(13) .
P4 C39 1.860(13) .
P4 C43 1.892(15) .
O1 C48 1.23(4) .
O1 C47 1.41(3) .
N1 C2 1.363(16) .
N1 C6 1.364(16) .
N2 C25 1.351(15) .
N2 C29 1.353(16) .
C1 C2 1.476(19) .
C1 H1A 0.97 .
C1 H1B 0.97 .
C2 C3 1.391(18) .
C3 C4 1.36(2) .
C3 H3 0.93 .
C4 C5 1.38(2) .
C4 H4 0.93 .
C5 C6 1.354(19) .
C5 H5 0.93 .
C6 C7 1.503(19) .
C7 H7A 0.97 .
C7 H7B 0.97 .
C8 C10 1.522(19) .
C8 C11B 1.538(18) .
C8 C11A 1.544(18) .
C8 C9 1.56(2) .
C9 H9A 0.96 .
C9 H9B 0.96 .
C9 H9C 0.96 .
C10 H10A 0.96 .
C10 H10B 0.96 .
C10 H10C 0.96 .
C12 C13 1.52(2) .
C12 C14 1.53(2) .
C12 C15 1.55(2) .
C13 H13A 0.96 .
C13 H13B 0.96 .
C13 H13C 0.96 .
C14 H14A 0.96 .
C14 H14B 0.96 .
C14 H14C 0.96 .
C15 H15A 0.96 .
C15 H15B 0.96 .
C15 H15C 0.96 .
C16 C19 1.52(2) .
C16 C18 1.53(2) .
C16 C17 1.56(2) .
C17 H17A 0.96 .
C17 H17B 0.96 .
C17 H17C 0.96 .
C18 H18A 0.96 .
C18 H18B 0.96 .
C18 H18C 0.96 .
C19 H19A 0.96 .
C19 H19B 0.96 .
C19 H19C 0.96 .
C20 C21 1.51(2) .
C20 C22 1.54(2) .
C20 C23 1.55(2) .
C21 H21A 0.96 .
C21 H21B 0.96 .
C21 H21C 0.96 .
C22 H22A 0.96 .
C22 H22B 0.96 .
C22 H22C 0.96 .
C23 H23A 0.96 .
C23 H23B 0.96 .
C23 H23C 0.96 .
C24 C25 1.502(19) .
C24 H24A 0.97 .
C24 H24B 0.97 .
C25 C26 1.387(17) .
C26 C27 1.36(2) .
C26 H26 0.93 .
C27 C28 1.39(2) .
C27 H27 0.93 .
C28 C29 1.374(17) .
C28 H28 0.93 .
C29 C30 1.517(18) .
C30 H30A 0.97 .
C30 H30B 0.97 .
C31 C33B 1.49(5) .
C31 C33A 1.50(5) .
C31 C32 1.56(2) .
C31 C34 1.58(2) .
C32 H32A 0.96 .
C32 H32B 0.96 .
C32 H32C 0.96 .
C33A H33A 0.96 .
C33A H33B 0.96 .
C33A H33C 0.96 .
C33B H33D 0.96 .
C33B H33E 0.96 .
C33B H33F 0.96 .
C34 H34A 0.96 .
C34 H34B 0.96 .
C34 H34C 0.96 .
C35 C36 1.52(2) .
C35 C37 1.53(2) .
C35 C38A 1.536(18) .
C35 C38B 1.538(18) .
C36 H36A 0.96 .
C36 H36B 0.96 .
C36 H36C 0.96 .
C37 H37A 0.96 .
C37 H37B 0.96 .
C37 H37C 0.96 .
C38A H38A 0.96 .
C38A H38B 0.96 .
C38A H38C 0.96 .
C38B H38D 0.96 .
C38B H38E 0.96 .
C38B H38F 0.96 .
C39 C42 1.53(2) .
C39 C40 1.535(18) .
C39 C41 1.55(2) .
C40 H40A 0.96 .
C40 H40B 0.96 .
C40 H40C 0.96 .
C41 H41A 0.96 .
C41 H41B 0.96 .
C41 H41C 0.96 .
C42 H42A 0.96 .
C42 H42B 0.96 .
C42 H42C 0.96 .
C43 C46 1.52(2) .
C43 C45B 1.522(18) .
C43 C45A 1.534(18) .
C43 C44 1.53(2) .
C44 H44A 0.96 .
C44 H44B 0.96 .
C44 H44C 0.96 .
C45A H45A 0.96 .
C45A H45B 0.96 .
C45A H45C 0.96 .
C45B H45D 0.96 .
C45B H45E 0.96 .
C45B H45F 0.96 .
C46 H46A 0.96 .
C46 H46B 0.96 .
C46 H46C 0.96 .
C47 C48 1.52(5) 2_756
C48 C47 1.52(5) 2_756
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
C1 H1B I3 0.97 3.24 4.173(13) 161.2 .
C7 H7A I1 0.97 3.17 3.696(14) 116.1 .
C9 H9A I1 0.96 3.15 4.000(15) 148.6 .
C9 H9B I3 0.96 3.31 4.241(17) 163.1 2_666
C13 H13B I2 0.96 2.99 3.839(16) 148.6 .
C14 H14C I2 0.96 3.02 3.867(15) 147.3 .
C18 H18C I2 0.96 3.22 4.05(2) 145 .
C19 H19A I1 0.96 3.06 3.592(17) 116.3 .
C19 H19B I2 0.96 3.12 3.967(17) 147.8 .
C19 H19C I2 0.96 3.17 4.104(15) 165.8 2_765
C23 H23A N1 0.96 2.61 3.128(17) 114.1 .
C23 H23C I4 0.96 3.28 4.235(14) 172.3 2_776
C26 H26 I1 0.93 3.31 4.043(14) 137.3 2_666
C28 H28 I2 0.93 3.2 4.018(15) 147.4 1_556
C30 H30A I3 0.97 3.3 3.857(15) 118.5 .
C30 H30B I2 0.97 3.1 4.040(14) 164.1 1_556
C41 H41C I4 0.96 3.1 3.983(17) 153.4 .
C42 H42A I4 0.96 3.08 3.968(15) 154.4 .
C42 H42C I3 0.96 3.26 3.771(15) 115.2 .
C1 H1B I3 0.97 3.24 4.173(13) 161.2 .
C7 H7A I1 0.97 3.17 3.696(14) 116.1 .
C9 H9A I1 0.96 3.15 4.000(15) 148.6 .
C9 H9B I3 0.96 3.31 4.241(17) 163.1 2_666
C13 H13B I2 0.96 2.99 3.839(16) 148.6 .
C14 H14C I2 0.96 3.02 3.867(15) 147.3 .
C18 H18C I2 0.96 3.22 4.05(2) 145 .
C19 H19A I1 0.96 3.06 3.592(17) 116.3 .
C19 H19B I2 0.96 3.12 3.967(17) 147.8 .
C19 H19C I2 0.96 3.17 4.104(15) 165.8 2_765
C23 H23A N1 0.96 2.61 3.128(17) 114.1 .
C26 H26 I1 0.93 3.31 4.043(14) 137.3 2_666
C28 H28 I2 0.93 3.2 4.018(15) 147.4 1_556
C30 H30A I3 0.97 3.3 3.857(15) 118.5 .
C30 H30B I2 0.97 3.1 4.040(14) 164.1 1_556
C32 H32A I3 0.96 3.35 3.804(18) 111.5 .
C41 H41C I4 0.96 3.1 3.983(17) 153.4 .
C42 H42A I4 0.96 3.08 3.968(15) 154.4 .
C42 H42C I3 0.96 3.26 3.771(15) 115.2 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
C12 P1 C1 C2 -142.5(10) . . . .
C8 P1 C1 C2 101.7(10) . . . .
Co1 P1 C1 C2 -23.7(10) . . . .
C6 N1 C2 C3 -6.2(17) . . . .
Co1 N1 C2 C3 168.1(9) . . . .
C6 N1 C2 C1 170.5(11) . . . .
Co1 N1 C2 C1 -15.2(14) . . . .
P1 C1 C2 N1 27.2(14) . . . .
P1 C1 C2 C3 -156.1(11) . . . .
N1 C2 C3 C4 2(2) . . . .
C1 C2 C3 C4 -174.1(13) . . . .
C2 C3 C4 C5 2(2) . . . .
C3 C4 C5 C6 -2(2) . . . .
C4 C5 C6 N1 -2(2) . . . .
C4 C5 C6 C7 179.0(13) . . . .
C2 N1 C6 C5 6.3(18) . . . .
Co1 N1 C6 C5 -168.1(10) . . . .
C2 N1 C6 C7 -175.1(11) . . . .
Co1 N1 C6 C7 10.5(14) . . . .
C5 C6 C7 P2 -157.2(11) . . . .
N1 C6 C7 P2 24.2(14) . . . .
C20 P2 C7 C6 77.0(11) . . . .
C16 P2 C7 C6 -166.9(10) . . . .
Co1 P2 C7 C6 -38.9(9) . . . .
C1 P1 C8 C10 72.0(12) . . . .
C12 P1 C8 C10 -38.1(13) . . . .
Co1 P1 C8 C10 179.9(9) . . . .
C1 P1 C8 C11B -51(2) . . . .
C12 P1 C8 C11B -161(2) . . . .
Co1 P1 C8 C11B 57(2) . . . .
C1 P1 C8 C11A -42(2) . . . .
C12 P1 C8 C11A -152(2) . . . .
Co1 P1 C8 C11A 66(2) . . . .
C1 P1 C8 C9 -164.8(9) . . . .
C12 P1 C8 C9 85.2(10) . . . .
Co1 P1 C8 C9 -56.8(10) . . . .
C1 P1 C12 C13 77.1(12) . . . .
C8 P1 C12 C13 -172.7(10) . . . .
Co1 P1 C12 C13 -28.2(12) . . . .
C1 P1 C12 C14 -162.8(11) . . . .
C8 P1 C12 C14 -52.6(12) . . . .
Co1 P1 C12 C14 91.9(11) . . . .
C1 P1 C12 C15 -39.1(12) . . . .
C8 P1 C12 C15 71.1(12) . . . .
Co1 P1 C12 C15 -144.4(10) . . . .
C7 P2 C16 C19 75.8(13) . . . .
C20 P2 C16 C19 -170.7(12) . . . .
Co1 P2 C16 C19 -28.7(15) . . . .
C7 P2 C16 C18 -166.5(13) . . . .
C20 P2 C16 C18 -53.0(16) . . . .
Co1 P2 C16 C18 89.0(14) . . . .
C7 P2 C16 C17 -43.9(15) . . . .
C20 P2 C16 C17 69.5(15) . . . .
Co1 P2 C16 C17 -148.4(12) . . . .
C7 P2 C20 C21 68.0(17) . . . .
C16 P2 C20 C21 -42.4(18) . . . .
Co1 P2 C20 C21 170.4(14) . . . .
C7 P2 C20 C22 -168.6(12) . . . .
C16 P2 C20 C22 81.0(14) . . . .
Co1 P2 C20 C22 -66.2(14) . . . .
C7 P2 C20 C23 -53.6(14) . . . .
C16 P2 C20 C23 -164.1(12) . . . .
Co1 P2 C20 C23 48.8(14) . . . .
C35 P3 C24 C25 -86.6(11) . . . .
C31 P3 C24 C25 157.7(10) . . . .
Co2 P3 C24 C25 32.9(10) . . . .
C29 N2 C25 C26 2.2(17) . . . .
Co2 N2 C25 C26 -179.2(9) . . . .
C29 N2 C25 C24 -175.5(11) . . . .
Co2 N2 C25 C24 3.0(15) . . . .
P3 C24 C25 N2 -26.8(15) . . . .
P3 C24 C25 C26 155.4(11) . . . .
N2 C25 C26 C27 -3(2) . . . .
C24 C25 C26 C27 174.5(13) . . . .
C25 C26 C27 C28 2(2) . . . .
C26 C27 C28 C29 0(2) . . . .
C25 N2 C29 C28 -0.3(18) . . . .
Co2 N2 C29 C28 -178.9(10) . . . .
C25 N2 C29 C30 178.6(11) . . . .
Co2 N2 C29 C30 0.0(14) . . . .
C27 C28 C29 N2 -1(2) . . . .
C27 C28 C29 C30 -179.5(13) . . . .
N2 C29 C30 P4 37.8(14) . . . .
C28 C29 C30 P4 -143.3(11) . . . .
O2 P4 C30 C29 -29(2) . . . .
C39 P4 C30 C29 -164.1(10) . . . .
C43 P4 C30 C29 79.5(11) . . . .
Co2 P4 C30 C29 -47.1(10) . . . .
C24 P3 C31 C33B 158(2) . . . .
C35 P3 C31 C33B 46(2) . . . .
Co2 P3 C31 C33B -93(2) . . . .
C24 P3 C31 C33A 170(2) . . . .
C35 P3 C31 C33A 58(2) . . . .
Co2 P3 C31 C33A -81(2) . . . .
C24 P3 C31 C32 -78.0(11) . . . .
C35 P3 C31 C32 169.7(10) . . . .
Co2 P3 C31 C32 31.1(12) . . . .
C24 P3 C31 C34 37.4(12) . . . .
C35 P3 C31 C34 -74.9(12) . . . .
Co2 P3 C31 C34 146.5(9) . . . .
C24 P3 C35 C36 49.6(12) . . . .
C31 P3 C35 C36 161.6(10) . . . .
Co2 P3 C35 C36 -57.5(12) . . . .
C24 P3 C35 C37 166.1(11) . . . .
C31 P3 C35 C37 -81.9(11) . . . .
Co2 P3 C35 C37 59.0(12) . . . .
C24 P3 C35 C38A -77(2) . . . .
C31 P3 C35 C38A 35(2) . . . .
Co2 P3 C35 C38A 176.3(19) . . . .
C24 P3 C35 C38B -64(2) . . . .
C31 P3 C35 C38B 48(2) . . . .
Co2 P3 C35 C38B -170.6(19) . . . .
O2 P4 C39 C42 -63.9(19) . . . .
C30 P4 C39 C42 73.4(10) . . . .
C43 P4 C39 C42 -172.7(9) . . . .
Co2 P4 C39 C42 -26.8(10) . . . .
O2 P4 C39 C40 176.6(18) . . . .
C30 P4 C39 C40 -46.2(12) . . . .
C43 P4 C39 C40 67.7(12) . . . .
Co2 P4 C39 C40 -146.4(9) . . . .
O2 P4 C39 C41 51(2) . . . .
C30 P4 C39 C41 -172.1(11) . . . .
C43 P4 C39 C41 -58.2(12) . . . .
Co2 P4 C39 C41 87.7(11) . . . .
O2 P4 C43 C46 -33.0(17) . . . .
C30 P4 C43 C46 -158.0(10) . . . .
C39 P4 C43 C46 88.9(11) . . . .
Co2 P4 C43 C46 -53.4(12) . . . .
O2 P4 C43 C45B -161(2) . . . .
C30 P4 C43 C45B 74(2) . . . .
C39 P4 C43 C45B -39(2) . . . .
Co2 P4 C43 C45B 178(2) . . . .
O2 P4 C43 C45A -150(2) . . . .
C30 P4 C43 C45A 85(2) . . . .
C39 P4 C43 C45A -28(2) . . . .
Co2 P4 C43 C45A -170.4(19) . . . .
O2 P4 C43 C44 85.6(17) . . . .
C30 P4 C43 C44 -39.5(11) . . . .
C39 P4 C43 C44 -152.6(9) . . . .
Co2 P4 C43 C44 65.1(10) . . . .
C48 O1 C47 C48 -11(7) . . . 2_756
C47 O1 C48 C47 10(7) . . . 2_756
C30 P4 O2 Co2 -35(3) . . . .
C39 P4 O2 Co2 96(2) . . . .
C43 P4 O2 Co2 -148(2) . . . .
N2 Co2 O2 P4 59(2) . . . .
P3 Co2 O2 P4 137.3(19) . . . .
I4 Co2 O2 P4 -129(2) . . . .
I3 Co2 O2 P4 -23(3) . . . .
I4' Co2 O2 P4 -127(2) . . . .
