#------------------------------------------------------------------------------
#$Date: 2019-12-09 10:58:49 +0200 (Mon, 09 Dec 2019) $
#$Revision: 244955 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/64/1556469.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_1556469
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  Br2  Co1  N1  P2  O1'
_chemical_formula_sum            'C23 H43 Br2 Co N O P2'
_chemical_formula_weight         630.27
_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                94.088(7)
_cell_angle_beta                 91.371(6)
_cell_angle_gamma                99.490(7)
_cell_formula_units_Z            4
_cell_length_a                   12.3039(14)
_cell_length_b                   15.2593(17)
_cell_length_c                   15.8150(18)
_cell_measurement_reflns_used    27933
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.6
_cell_measurement_theta_min      3
_cell_measurement_wavelength     0.71073
_cell_volume                     2919.2(6)
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.987
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0721
_diffrn_reflns_Laue_measured_fraction_full 0.994
_diffrn_reflns_Laue_measured_fraction_max 0.987
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_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            27933
_diffrn_reflns_point_group_measured_fraction_full 0.994
_diffrn_reflns_point_group_measured_fraction_max 0.987
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.484
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    3.449
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.495
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.434
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1292
_exptl_crystal_size_max          0.68
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.677
_refine_diff_density_min         -1.475
_refine_diff_density_rms         0.126
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     578
_refine_ls_number_reflns         13229
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.1348
_refine_ls_R_factor_gt           0.0881
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0481P)²+21.2847P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1972
_refine_ls_wR_factor_ref         0.2209
_reflns_number_gt                8592
_reflns_number_total             13229
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            Inorganics-205-3-21-_3_.cif
_cod_data_source_block           shelx-2
_cod_database_code               1556469
_shelx_estimated_absorpt_t_min   0.203
_shelx_estimated_absorpt_t_max   0.663
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
Br1 Br 0.13503(7) 1.05720(5) 0.25034(5) 0.0410(2) Uani 1 d . .
Br2 Br 0.18556(10) 0.88153(8) 0.40166(6) 0.0705(4) Uani 1 d . .
Br3 Br 0.65851(8) 0.15988(6) 0.14615(6) 0.0494(2) Uani 1 d . .
Br4 Br 0.73425(13) 0.42863(12) 0.15814(15) 0.0587(8) Uani 0.663(6) d A 1
Br4" Br 0.7171(5) 0.4040(3) 0.1044(4) 0.060(2) Uiso 0.247(8) d A 3
Br4' Br 0.7765(18) 0.3861(11) 0.0982(10) 0.081(7) Uiso 0.087(6) d B 2
Co1 Co 0.11684(9) 0.89415(7) 0.25623(6) 0.0379(3) Uani 1 d . .
Co2 Co 0.64755(10) 0.30215(8) 0.22957(9) 0.0539(4) Uani 1 d . .
P1 P -0.0956(2) 0.85016(17) 0.27294(15) 0.0496(6) Uani 1 d . .
P2 P 0.26347(18) 0.83934(14) 0.17372(13) 0.0371(5) Uani 1 d . .
P3 P 0.45532(18) 0.33198(14) 0.22218(15) 0.0406(5) Uani 1 d . .
P4 P 0.79665(19) 0.31075(15) 0.35642(14) 0.0405(5) Uani 1 d . .
O1 O 0.7383(13) 0.3597(11) 0.3060(9) 0.041(6) Uani 0.347(19) d A .
O2 O -0.008(2) 0.8218(17) 0.2946(15) 0.060(10) Uani 0.27(2) d . .
N1 N 0.0387(6) 0.8735(4) 0.1224(4) 0.0390(15) Uani 1 d . .
N2 N 0.5631(5) 0.2116(4) 0.3275(4) 0.0307(13) Uani 1 d . .
C1 C -0.0602(7) 0.8967(6) 0.1093(5) 0.044(2) Uani 1 d . .
C2 C -0.1012(8) 0.9019(7) 0.0268(6) 0.059(3) Uani 1 d . .
H2 H -0.1705 0.9172 0.018 0.071 Uiso 1 calc . .
C3 C -0.0385(10) 0.8844(7) -0.0412(6) 0.067(3) Uani 1 d . .
H3 H -0.063 0.8907 -0.0962 0.08 Uiso 1 calc . .
C4 C 0.0599(8) 0.8579(7) -0.0267(5) 0.055(2) Uani 1 d . .
H4 H 0.1028 0.8446 -0.072 0.066 Uiso 1 calc . .
C5 C 0.0961(7) 0.8506(5) 0.0549(5) 0.0404(19) Uani 1 d . .
C6 C -0.1266(7) 0.9126(6) 0.1850(5) 0.045(2) Uani 1 d . .
H6A H -0.2043 0.8962 0.1691 0.054 Uiso 1 calc . .
H6B H -0.1126 0.9756 0.2031 0.054 Uiso 1 calc . .
C7 C 0.1940(8) 0.8052(6) 0.0692(5) 0.050(2) Uani 1 d . .
H7A H 0.2462 0.8192 0.0251 0.06 Uiso 1 calc . .
H7B H 0.1698 0.7412 0.0647 0.06 Uiso 1 calc . .
C8 C -0.1577(9) 0.9070(8) 0.3665(6) 0.065(3) Uani 1 d . .
C9 C -0.0830(11) 0.9956(8) 0.3871(7) 0.079(4) Uani 1 d . .
H9A H -0.0831 1.0313 0.3395 0.095 Uiso 1 calc . .
H9B H -0.1092 1.026 0.4357 0.095 Uiso 1 calc . .
H9C H -0.0094 0.9856 0.3991 0.095 Uiso 1 calc . .
C10 C -0.2749(10) 0.9241(10) 0.3476(9) 0.097(4) Uani 1 d . .
H10A H -0.275 0.9585 0.2991 0.116 Uiso 1 calc . .
H10B H -0.3235 0.8683 0.3362 0.116 Uiso 1 calc . .
H10C H -0.2997 0.9564 0.3958 0.116 Uiso 1 calc . .
C11 C -0.1554(12) 0.8528(10) 0.4430(7) 0.094(4) Uani 1 d . .
H11A H -0.2023 0.7961 0.4315 0.113 Uiso 1 calc . .
H11B H -0.0813 0.8437 0.4546 0.113 Uiso 1 calc . .
H11C H -0.1811 0.8841 0.4913 0.113 Uiso 1 calc . .
C12 C -0.1663(10) 0.7333(7) 0.2468(7) 0.070(3) Uani 1 d . .
C13 C -0.1297(10) 0.6989(8) 0.1610(7) 0.078(3) Uani 1 d . .
H13A H -0.1549 0.7322 0.1174 0.094 Uiso 1 calc . .
H13B H -0.0507 0.7059 0.1616 0.094 Uiso 1 calc . .
H13C H -0.1606 0.637 0.1501 0.094 Uiso 1 calc . .
C14 C -0.1212(16) 0.6749(9) 0.3107(9) 0.123(6) Uani 1 d . .
H14A H -0.0421 0.685 0.3105 0.148 Uiso 1 calc . .
H14B H -0.1446 0.6902 0.3665 0.148 Uiso 1 calc . .
H14C H -0.1488 0.6132 0.2948 0.148 Uiso 1 calc . .
C15 C -0.2908(11) 0.7215(10) 0.2430(14) 0.146(8) Uani 1 d . .
H15A H -0.3142 0.7591 0.2025 0.176 Uiso 1 calc . .
H15B H -0.3207 0.6604 0.2262 0.176 Uiso 1 calc . .
H15C H -0.3164 0.7374 0.2979 0.176 Uiso 1 calc . .
C16 C 0.3855(7) 0.9257(5) 0.1531(5) 0.045(2) Uani 1 d . .
C17 C 0.3430(8) 0.9908(6) 0.0960(6) 0.054(2) Uani 1 d . .
H17A H 0.3163 0.9599 0.0426 0.064 Uiso 1 calc . .
H17B H 0.2842 1.0149 0.123 0.064 Uiso 1 calc . .
H17C H 0.4019 1.0384 0.0866 0.064 Uiso 1 calc . .
C18 C 0.4279(8) 0.9758(6) 0.2381(6) 0.053(2) Uani 1 d . .
H18A H 0.4547 0.9354 0.2742 0.064 Uiso 1 calc . .
H18B H 0.4867 1.0234 0.2284 0.064 Uiso 1 calc . .
H18C H 0.369 0.9999 0.2648 0.064 Uiso 1 calc . .
C19 C 0.4786(8) 0.8892(7) 0.1066(7) 0.064(3) Uani 1 d . .
H19A H 0.5074 0.848 0.1406 0.077 Uiso 1 calc . .
H19B H 0.4503 0.8592 0.0532 0.077 Uiso 1 calc . .
H19C H 0.5364 0.9376 0.0968 0.077 Uiso 1 calc . .
C20 C 0.3066(9) 0.7344(6) 0.2070(6) 0.055(2) Uani 1 d . .
C21 C 0.3909(10) 0.7554(8) 0.2809(7) 0.073(3) Uani 1 d . .
H21A H 0.4565 0.7912 0.2628 0.088 Uiso 1 calc . .
H21B H 0.3606 0.7874 0.3266 0.088 Uiso 1 calc . .
H21C H 0.4085 0.7009 0.2998 0.088 Uiso 1 calc . .
C22 C 0.3538(10) 0.6812(6) 0.1337(7) 0.072(3) Uani 1 d . .
H22A H 0.4196 0.7162 0.1148 0.086 Uiso 1 calc . .
H22B H 0.3709 0.6268 0.1533 0.086 Uiso 1 calc . .
H22C H 0.3002 0.6677 0.0875 0.086 Uiso 1 calc . .
C23 C 0.2013(9) 0.6769(6) 0.2361(7) 0.067(3) Uani 1 d . .
H23A H 0.1482 0.6637 0.1896 0.081 Uiso 1 calc . .
H23B H 0.219 0.6224 0.255 0.081 Uiso 1 calc . .
H23C H 0.1711 0.7089 0.2818 0.081 Uiso 1 calc . .
C24 C 0.4524(7) 0.1936(5) 0.3293(5) 0.0377(18) Uani 1 d . .
C25 C 0.3996(7) 0.1429(6) 0.3898(6) 0.045(2) Uani 1 d . .
H25 H 0.3231 0.133 0.3918 0.054 Uiso 1 calc . .
C26 C 0.4631(8) 0.1070(7) 0.4472(6) 0.054(2) Uani 1 d . .
H26 H 0.4292 0.0727 0.4886 0.065 Uiso 1 calc . .
C27 C 0.5758(8) 0.1218(6) 0.4434(5) 0.046(2) Uani 1 d . .
H27 H 0.6189 0.096 0.4804 0.056 Uiso 1 calc . .
C28 C 0.6241(7) 0.1760(5) 0.3832(5) 0.0381(18) Uani 1 d . .
C29 C 0.3861(7) 0.2296(6) 0.2630(6) 0.048(2) Uani 1 d . .
H29A H 0.3173 0.2405 0.2871 0.058 Uiso 1 calc . .
H29B H 0.3681 0.1845 0.2161 0.058 Uiso 1 calc . .
C30 C 0.7478(6) 0.1952(5) 0.3780(5) 0.0377(18) Uani 1 d . .
H30A H 0.7705 0.1559 0.3334 0.045 Uiso 1 calc . .
H30B H 0.7813 0.1832 0.4311 0.045 Uiso 1 calc . .
C31 C 0.3868(8) 0.3322(6) 0.1148(6) 0.047(2) Uani 1 d . .
C32 C 0.4384(11) 0.2683(9) 0.0567(7) 0.085(4) Uani 1 d . .
H32A H 0.4243 0.2098 0.0771 0.102 Uiso 1 calc . .
H32B H 0.4069 0.2662 0.0003 0.102 Uiso 1 calc . .
H32C H 0.5165 0.2882 0.056 0.102 Uiso 1 calc . .
C33 C 0.4123(10) 0.4235(8) 0.0788(7) 0.077(3) Uani 1 d . .
H33A H 0.381 0.4662 0.1138 0.093 Uiso 1 calc . .
H33B H 0.4907 0.4418 0.0778 0.093 Uiso 1 calc . .
H33C H 0.3811 0.4198 0.0221 0.093 Uiso 1 calc . .
C34 C 0.2612(9) 0.3017(7) 0.1129(7) 0.070(3) Uani 1 d . .
H34A H 0.2282 0.3419 0.1496 0.084 Uiso 1 calc . .
H34B H 0.232 0.3013 0.056 0.084 Uiso 1 calc . .
H34C H 0.2451 0.2428 0.132 0.084 Uiso 1 calc . .
C35 C 0.4218(8) 0.4248(6) 0.2960(7) 0.053(2) Uani 1 d . .
C36 C 0.4501(11) 0.4032(7) 0.3857(7) 0.077(3) Uani 1 d . .
H36A H 0.5251 0.3933 0.389 0.092 Uiso 1 calc . .
H36B H 0.4413 0.4522 0.4251 0.092 Uiso 1 calc . .
H36C H 0.4018 0.3505 0.3996 0.092 Uiso 1 calc . .
C37 C 0.5021(10) 0.5120(7) 0.2789(10) 0.092(4) Uani 1 d . .
H37A H 0.5768 0.5014 0.2822 0.11 Uiso 1 calc . .
H37B H 0.486 0.5293 0.2234 0.11 Uiso 1 calc . .
H37C H 0.4927 0.5587 0.3207 0.11 Uiso 1 calc . .
C38 C 0.3037(9) 0.4403(8) 0.2910(7) 0.069(3) Uani 1 d . .
H38A H 0.2858 0.4539 0.2345 0.083 Uiso 1 calc . .
H38B H 0.2554 0.3877 0.3049 0.083 Uiso 1 calc . .
H38C H 0.2949 0.4893 0.3303 0.083 Uiso 1 calc . .
C39 C 0.9407(7) 0.3132(6) 0.3192(6) 0.048(2) Uani 1 d . .
C40 C 0.9298(8) 0.2618(8) 0.2306(6) 0.065(3) Uani 1 d . .
H40A H 0.8975 0.2008 0.2358 0.078 Uiso 1 calc . .
H40B H 0.8836 0.2885 0.1938 0.078 Uiso 1 calc . .
H40C H 1.0015 0.2642 0.2073 0.078 Uiso 1 calc . .
C41 C 1.0132(8) 0.2659(7) 0.3772(7) 0.061(3) Uani 1 d . .
H41A H 0.9777 0.2056 0.3819 0.073 Uiso 1 calc . .
H41B H 1.084 0.266 0.353 0.073 Uiso 1 calc . .
H41C H 1.0225 0.2971 0.4325 0.073 Uiso 1 calc . .
C42 C 0.9921(8) 0.4096(7) 0.3089(7) 0.063(3) Uani 1 d . .
H42A H 0.9995 0.4426 0.3633 0.075 Uiso 1 calc . .
H42B H 1.0634 0.4113 0.2852 0.075 Uiso 1 calc . .
H42C H 0.9456 0.4355 0.2717 0.075 Uiso 1 calc . .
C43 C 0.7970(7) 0.3794(6) 0.4605(6) 0.046(2) Uani 1 d . .
C44 C 0.8956(9) 0.3747(7) 0.5207(6) 0.065(3) Uani 1 d . .
H44A H 0.8962 0.3139 0.5322 0.078 Uiso 1 calc . .
H44B H 0.9629 0.398 0.4947 0.078 Uiso 1 calc . .
H44C H 0.8892 0.4094 0.5729 0.078 Uiso 1 calc . .
C45 C 0.7934(10) 0.4759(6) 0.4407(7) 0.069(3) Uani 1 d . .
H45A H 0.7314 0.4772 0.4031 0.083 Uiso 1 calc . .
H45B H 0.7864 0.5112 0.4924 0.083 Uiso 1 calc . .
H45C H 0.8601 0.4997 0.4142 0.083 Uiso 1 calc . .
C46 C 0.6934(8) 0.3419(6) 0.5079(6) 0.052(2) Uani 1 d . .
H46A H 0.6965 0.2816 0.52 0.063 Uiso 1 calc . .
H46B H 0.6907 0.3776 0.5601 0.063 Uiso 1 calc . .
H46C H 0.6287 0.3433 0.4732 0.063 Uiso 1 calc . .
C47 C 0 0.5 0 0.15(2) Uani 0.5 d . .
C48 C 0.0268(14) 0.4126(11) 0.0298(9) 0.098(5) Uani 1 d . .
C49 C 0.0791(12) 0.4886(13) 0.0690(10) 0.106(5) Uani 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 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 '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'
P P 0.1023 0.0942 '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
O2 Co1 N1 89.2(7) . .
O2 Co1 Br2 81.5(7) . .
N1 Co1 Br2 167.49(18) . .
O2 Co1 Br1 124.2(7) . .
N1 Co1 Br1 90.13(17) . .
Br2 Co1 Br1 101.99(5) . .
O2 Co1 P2 124.9(7) . .
N1 Co1 P2 78.16(18) . .
Br2 Co1 P2 100.36(7) . .
Br1 Co1 P2 109.40(7) . .
O2 Co1 P1 27.3(8) . .
N1 Co1 P1 73.43(18) . .
Br2 Co1 P1 100.83(7) . .
Br1 Co1 P1 101.08(7) . .
P2 Co1 P1 137.96(9) . .
O1 Co2 N2 91.3(5) . .
O1 Co2 Br4 77.2(5) . .
N2 Co2 Br4 164.08(17) . .
O1 Co2 P3 119.3(5) . .
N2 Co2 P3 77.78(17) . .
Br4 Co2 P3 98.14(8) . .
O1 Co2 Br3 128.8(5) . .
N2 Co2 Br3 84.51(15) . .
Br4 Co2 Br3 111.25(8) . .
P3 Co2 Br3 109.51(8) . .
O1 Co2 P4 27.5(5) . .
N2 Co2 P4 74.64(17) . .
Br4 Co2 P4 98.31(8) . .
P3 Co2 P4 133.35(9) . .
Br3 Co2 P4 104.48(7) . .
O1 Co2 Br4" 95.8(5) . .
N2 Co2 Br4" 171.7(2) . .
P3 Co2 Br4" 94.98(16) . .
Br3 Co2 Br4" 94.33(14) . .
P4 Co2 Br4" 113.51(16) . .
O2 P1 C6 131.3(12) . .
O2 P1 C12 90.1(12) . .
C6 P1 C12 106.4(5) . .
O2 P1 C8 112.0(11) . .
C6 P1 C8 103.3(5) . .
C12 P1 C8 112.5(5) . .
O2 P1 Co1 42.2(12) . .
C6 P1 Co1 92.3(3) . .
C12 P1 Co1 120.7(4) . .
C8 P1 Co1 116.9(4) . .
C7 P2 C20 103.5(4) . .
C7 P2 C16 105.4(4) . .
C20 P2 C16 111.8(4) . .
C7 P2 Co1 102.5(3) . .
C20 P2 Co1 116.1(3) . .
C16 P2 Co1 115.7(3) . .
C29 P3 C35 105.6(5) . .
C29 P3 C31 103.7(4) . .
C35 P3 C31 110.8(4) . .
C29 P3 Co2 98.7(3) . .
C35 P3 Co2 116.9(3) . .
C31 P3 Co2 118.4(3) . .
O1 P4 C30 123.8(7) . .
O1 P4 C43 98.9(7) . .
C30 P4 C43 106.5(4) . .
O1 P4 C39 110.8(7) . .
C30 P4 C39 105.5(4) . .
C43 P4 C39 110.8(4) . .
O1 P4 Co2 34.7(7) . .
C30 P4 Co2 91.9(3) . .
C43 P4 Co2 125.1(3) . .
C39 P4 Co2 113.1(3) . .
P4 O1 Co2 117.8(10) . .
P1 O2 Co1 110.5(17) . .
C1 N1 C5 119.1(7) . .
C1 N1 Co1 118.8(5) . .
C5 N1 Co1 121.4(5) . .
C28 N2 C24 119.4(6) . .
C28 N2 Co2 120.2(5) . .
C24 N2 Co2 120.4(5) . .
N1 C1 C2 120.6(9) . .
N1 C1 C6 117.8(7) . .
C2 C1 C6 121.6(8) . .
C3 C2 C1 119.6(9) . .
C3 C2 H2 120.2 . .
C1 C2 H2 120.2 . .
C4 C3 C2 118.9(9) . .
C4 C3 H3 120.6 . .
C2 C3 H3 120.6 . .
C3 C4 C5 119.9(9) . .
C3 C4 H4 120 . .
C5 C4 H4 120 . .
N1 C5 C4 121.6(9) . .
N1 C5 C7 118.9(7) . .
C4 C5 C7 119.0(8) . .
C1 C6 P1 113.0(6) . .
C1 C6 H6A 109 . .
P1 C6 H6A 109 . .
C1 C6 H6B 109 . .
P1 C6 H6B 109 . .
H6A C6 H6B 107.8 . .
C5 C7 P2 112.4(6) . .
C5 C7 H7A 109.1 . .
P2 C7 H7A 109.1 . .
C5 C7 H7B 109.1 . .
P2 C7 H7B 109.1 . .
H7A C7 H7B 107.9 . .
C11 C8 C9 107.8(10) . .
C11 C8 C10 110.5(10) . .
C9 C8 C10 108.8(10) . .
C11 C8 P1 109.8(8) . .
C9 C8 P1 106.2(7) . .
C10 C8 P1 113.5(8) . .
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 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C14 C12 C15 113.0(12) . .
C14 C12 C13 104.3(10) . .
C15 C12 C13 107.7(12) . .
C14 C12 P1 107.2(9) . .
C15 C12 P1 114.6(9) . .
C13 C12 P1 109.5(7) . .
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 . .
C17 C16 C18 109.0(7) . .
C17 C16 C19 107.1(7) . .
C18 C16 C19 111.1(8) . .
C17 C16 P2 106.6(6) . .
C18 C16 P2 108.1(6) . .
C19 C16 P2 114.7(6) . .
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 . .
C23 C20 C21 109.4(9) . .
C23 C20 C22 108.4(9) . .
C21 C20 C22 109.8(9) . .
C23 C20 P2 105.9(6) . .
C21 C20 P2 110.3(7) . .
C22 C20 P2 112.9(7) . .
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 . .
N2 C24 C25 121.7(8) . .
N2 C24 C29 118.4(7) . .
C25 C24 C29 119.9(7) . .
C24 C25 C26 118.5(8) . .
C24 C25 H25 120.8 . .
C26 C25 H25 120.8 . .
C27 C26 C25 120.2(8) . .
C27 C26 H26 119.9 . .
C25 C26 H26 119.9 . .
C26 C27 C28 118.6(8) . .
C26 C27 H27 120.7 . .
C28 C27 H27 120.7 . .
N2 C28 C27 121.6(8) . .
N2 C28 C30 118.2(7) . .
C27 C28 C30 120.2(7) . .
C24 C29 P3 114.2(6) . .
C24 C29 H29A 108.7 . .
P3 C29 H29A 108.7 . .
C24 C29 H29B 108.7 . .
P3 C29 H29B 108.7 . .
H29A C29 H29B 107.6 . .
C28 C30 P4 111.8(5) . .
C28 C30 H30A 109.3 . .
P4 C30 H30A 109.3 . .
C28 C30 H30B 109.3 . .
P4 C30 H30B 109.3 . .
H30A C30 H30B 107.9 . .
C32 C31 C33 106.7(9) . .
C32 C31 C34 109.1(9) . .
C33 C31 C34 109.3(8) . .
C32 C31 P3 105.7(7) . .
C33 C31 P3 111.9(7) . .
C34 C31 P3 113.8(7) . .
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 C33 H33A 109.5 . .
C31 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
C31 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 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 . .
C38 C35 C36 109.4(9) . .
C38 C35 C37 110.1(8) . .
C36 C35 C37 106.3(9) . .
C38 C35 P3 115.6(7) . .
C36 C35 P3 106.9(6) . .
C37 C35 P3 108.1(8) . .
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 C38 H38A 109.5 . .
C35 C38 H38B 109.5 . .
H38A C38 H38B 109.5 . .
C35 C38 H38C 109.5 . .
H38A C38 H38C 109.5 . .
H38B C38 H38C 109.5 . .
C42 C39 C40 108.2(8) . .
C42 C39 C41 112.4(8) . .
C40 C39 C41 107.5(8) . .
C42 C39 P4 108.7(6) . .
C40 C39 P4 106.3(6) . .
C41 C39 P4 113.4(6) . .
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 . .
C45 C43 C44 110.9(8) . .
C45 C43 C46 110.1(8) . .
C44 C43 C46 105.7(8) . .
C45 C43 P4 107.8(7) . .
C44 C43 P4 114.0(6) . .
C46 C43 P4 108.3(6) . .
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 C45 H45A 109.5 . .
C43 C45 H45B 109.5 . .
H45A C45 H45B 109.5 . .
C43 C45 H45C 109.5 . .
H45A C45 H45C 109.5 . .
H45B C45 H45C 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 . .
C49 C47 C49 180 . 2_565
C49 C47 C48 52.5(8) . .
C49 C47 C48 127.5(8) 2_565 .
C49 C47 C48 127.5(8) . 2_565
C49 C47 C48 52.5(8) 2_565 2_565
C48 C47 C48 180 . 2_565
C49 C48 C47 62.0(9) . .
C48 C49 C47 65.5(9) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Br1 Co1 2.4697(14) .
Br2 Co1 2.4629(14) .
Br3 Co2 2.4836(16) .
Br4 Co2 2.4142(18) .
Br4" Co2 2.674(6) .
Co1 O2 1.87(3) .
Co1 N1 2.283(6) .
Co1 P2 2.472(2) .
Co1 P1 2.614(3) .
Co2 O1 1.715(16) .
Co2 N2 2.301(6) .
Co2 P3 2.483(3) .
Co2 P4 2.667(3) .
P1 O2 1.28(2) .
P1 C6 1.808(9) .
P1 C12 1.864(11) .
P1 C8 1.901(10) .
P2 C7 1.844(9) .
P2 C20 1.874(9) .
P2 C16 1.879(9) .
P3 C29 1.821(8) .
P3 C35 1.875(9) .
P3 C31 1.879(9) .
P4 O1 1.394(16) .
P4 C30 1.825(8) .
P4 C43 1.886(9) .
P4 C39 1.876(9) .
N1 C1 1.337(11) .
N1 C5 1.350(10) .
N2 C28 1.345(10) .
N2 C24 1.346(10) .
C1 C2 1.400(12) .
C1 C6 1.494(12) .
C2 C3 1.375(15) .
C2 H2 0.93 .
C3 C4 1.358(15) .
C3 H3 0.93 .
C4 C5 1.374(11) .
C4 H4 0.93 .
C5 C7 1.506(13) .
C6 H6A 0.97 .
C6 H6B 0.97 .
C7 H7A 0.97 .
C7 H7B 0.97 .
C8 C11 1.516(16) .
C8 C9 1.514(16) .
C8 C10 1.534(15) .
C9 H9A 0.96 .
C9 H9B 0.96 .
C9 H9C 0.96 .
C10 H10A 0.96 .
C10 H10B 0.96 .
C10 H10C 0.96 .
C11 H11A 0.96 .
C11 H11B 0.96 .
C11 H11C 0.96 .
C12 C14 1.545(17) .
C12 C15 1.511(17) .
C12 C13 1.524(15) .
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 C17 1.534(12) .
C16 C18 1.533(12) .
C16 C19 1.536(12) .
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 C23 1.539(13) .
C20 C21 1.524(15) .
C20 C22 1.547(12) .
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 1.380(11) .
C24 C29 1.502(11) .
C25 C26 1.383(12) .
C25 H25 0.93 .
C26 C27 1.371(13) .
C26 H26 0.93 .
C27 C28 1.385(11) .
C27 H27 0.93 .
C28 C30 1.507(11) .
C29 H29A 0.97 .
C29 H29B 0.97 .
C30 H30A 0.97 .
C30 H30B 0.97 .
C31 C32 1.518(13) .
C31 C33 1.529(13) .
C31 C34 1.537(14) .
C32 H32A 0.96 .
C32 H32B 0.96 .
C32 H32C 0.96 .
C33 H33A 0.96 .
C33 H33B 0.96 .
C33 H33C 0.96 .
C34 H34A 0.96 .
C34 H34B 0.96 .
C34 H34C 0.96 .
C35 C38 1.512(13) .
C35 C36 1.525(14) .
C35 C37 1.566(14) .
C36 H36A 0.96 .
C36 H36B 0.96 .
C36 H36C 0.96 .
C37 H37A 0.96 .
C37 H37B 0.96 .
C37 H37C 0.96 .
C38 H38A 0.96 .
C38 H38B 0.96 .
C38 H38C 0.96 .
C39 C42 1.523(13) .
C39 C40 1.549(13) .
C39 C41 1.557(13) .
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 C45 1.535(12) .
C43 C44 1.538(13) .
C43 C46 1.542(12) .
C44 H44A 0.96 .
C44 H44B 0.96 .
C44 H44C 0.96 .
C45 H45A 0.96 .
C45 H45B 0.96 .
C45 H45C 0.96 .
C46 H46A 0.96 .
C46 H46B 0.96 .
C46 H46C 0.96 .
C47 C49 1.483(14) .
C47 C49 1.483(14) 2_565
C47 C48 1.529(14) .
C47 C48 1.529(14) 2_565
C48 C49 1.33(2) .
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
C6 H6B Br1 0.97 3.15 3.671(9) 115.6 .
C7 H7A Br3 0.97 2.99 3.925(8) 161.3 2_665
C9 H9A Br1 0.96 3.04 3.535(12) 113.4 .
C9 H9B Br2 0.96 3.09 4.045(10) 176.8 2_576
C9 H9C Br2 0.96 3.09 3.990(12) 157.1 .
C17 H17B Br1 0.96 2.87 3.786(9) 160.5 .
C18 H18B Br3 0.96 3.09 4.025(10) 164.4 1_565
C21 H21B Br2 0.96 3 3.879(10) 152.4 .
C22 H22C Br4" 0.96 3.14 3.924(14) 139.8 2_665
C22 H22C Br4' 0.96 3.08 3.96(2) 154.6 2_665
C23 H23C Br2 0.96 3.11 3.962(11) 148.6 .
C27 H27 Br2 0.93 2.97 3.788(9) 147.9 2_666
C30 H30B Br2 0.97 2.93 3.866(8) 162.5 2_666
C32 H32C Br4" 0.96 2.84 3.733(16) 154.7 .
C33 H33B Br4" 0.96 2.96 3.825(14) 150.2 .
C37 H37A Br4 0.96 3.07 3.813(13) 135.4 .
C40 H40B Br4 0.96 3.11 3.986(12) 152 .
C40 H40B Br4' 0.96 2.67 3.62(2) 171.1 .
C42 H42C Br4 0.96 3.11 3.984(11) 152.5 .
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
C30 P4 O1 Co2 -25.9(13) . . . .
C43 P4 O1 Co2 -142.7(9) . . . .
C39 P4 O1 Co2 100.9(10) . . . .
N2 Co2 O1 P4 52.0(10) . . . .
Br4 Co2 O1 P4 -139.0(11) . . . .
P3 Co2 O1 P4 128.7(9) . . . .
Br3 Co2 O1 P4 -31.9(14) . . . .
Br4" Co2 O1 P4 -132.2(10) . . . .
C6 P1 O2 Co1 27(2) . . . .
C12 P1 O2 Co1 139.3(11) . . . .
C8 P1 O2 Co1 -106.2(12) . . . .
N1 Co1 O2 P1 -53.6(13) . . . .
Br2 Co1 O2 P1 134.8(14) . . . .
Br1 Co1 O2 P1 36.0(17) . . . .
P2 Co1 O2 P1 -128.5(11) . . . .
C5 N1 C1 C2 -3.5(12) . . . .
Co1 N1 C1 C2 167.2(7) . . . .
C5 N1 C1 C6 173.9(7) . . . .
Co1 N1 C1 C6 -15.4(10) . . . .
N1 C1 C2 C3 -1.0(14) . . . .
C6 C1 C2 C3 -178.2(9) . . . .
C1 C2 C3 C4 3.4(15) . . . .
C2 C3 C4 C5 -1.3(15) . . . .
C1 N1 C5 C4 5.7(12) . . . .
Co1 N1 C5 C4 -164.8(7) . . . .
C1 N1 C5 C7 -166.3(7) . . . .
Co1 N1 C5 C7 23.2(10) . . . .
C3 C4 C5 N1 -3.3(14) . . . .
C3 C4 C5 C7 168.7(9) . . . .
N1 C1 C6 P1 -27.4(10) . . . .
C2 C1 C6 P1 149.9(7) . . . .
O2 P1 C6 C1 28.1(16) . . . .
C12 P1 C6 C1 -77.0(7) . . . .
C8 P1 C6 C1 164.3(7) . . . .
Co1 P1 C6 C1 46.0(6) . . . .
N1 C5 C7 P2 -30.5(10) . . . .
C4 C5 C7 P2 157.3(7) . . . .
C20 P2 C7 C5 143.2(6) . . . .
C16 P2 C7 C5 -99.3(6) . . . .
Co1 P2 C7 C5 22.1(6) . . . .
O2 P1 C12 C14 34.5(14) . . . .
C6 P1 C12 C14 168.0(8) . . . .
C8 P1 C12 C14 -79.5(10) . . . .
Co1 P1 C12 C14 65.1(9) . . . .
O2 P1 C12 C15 160.8(16) . . . .
C6 P1 C12 C15 -65.7(12) . . . .
C8 P1 C12 C15 46.7(13) . . . .
Co1 P1 C12 C15 -168.6(10) . . . .
O2 P1 C12 C13 -78.1(14) . . . .
C6 P1 C12 C13 55.4(9) . . . .
C8 P1 C12 C13 167.9(8) . . . .
Co1 P1 C12 C13 -47.5(10) . . . .
C7 P2 C16 C17 47.2(7) . . . .
C20 P2 C16 C17 158.9(6) . . . .
Co1 P2 C16 C17 -65.3(6) . . . .
C7 P2 C16 C18 164.2(6) . . . .
C20 P2 C16 C18 -84.0(7) . . . .
Co1 P2 C16 C18 51.8(7) . . . .
C7 P2 C16 C19 -71.2(8) . . . .
C20 P2 C16 C19 40.6(8) . . . .
Co1 P2 C16 C19 176.4(6) . . . .
C7 P2 C20 C23 -76.5(7) . . . .
C16 P2 C20 C23 170.6(7) . . . .
Co1 P2 C20 C23 34.9(8) . . . .
C7 P2 C20 C21 165.2(7) . . . .
C16 P2 C20 C21 52.3(7) . . . .
Co1 P2 C20 C21 -83.3(7) . . . .
C7 P2 C20 C22 42.0(9) . . . .
C16 P2 C20 C22 -70.9(9) . . . .
Co1 P2 C20 C22 153.4(7) . . . .
C28 N2 C24 C25 3.2(11) . . . .
Co2 N2 C24 C25 -177.0(6) . . . .
C28 N2 C24 C29 -176.3(7) . . . .
Co2 N2 C24 C29 3.5(9) . . . .
N2 C24 C25 C26 -2.7(12) . . . .
C29 C24 C25 C26 176.7(8) . . . .
C24 C25 C26 C27 -0.2(14) . . . .
C25 C26 C27 C28 2.5(14) . . . .
C24 N2 C28 C27 -0.8(11) . . . .
Co2 N2 C28 C27 179.5(6) . . . .
C24 N2 C28 C30 178.3(7) . . . .
Co2 N2 C28 C30 -1.5(9) . . . .
C26 C27 C28 N2 -2.1(12) . . . .
C26 C27 C28 C30 178.9(8) . . . .
N2 C24 C29 P3 -28.0(10) . . . .
C25 C24 C29 P3 152.5(7) . . . .
C35 P3 C29 C24 -87.2(7) . . . .
C31 P3 C29 C24 156.1(7) . . . .
Co2 P3 C29 C24 34.0(7) . . . .
N2 C28 C30 P4 40.2(8) . . . .
C27 C28 C30 P4 -140.7(7) . . . .
O1 P4 C30 C28 -33.9(10) . . . .
C43 P4 C30 C28 79.2(6) . . . .
C39 P4 C30 C28 -163.0(6) . . . .
Co2 P4 C30 C28 -48.3(5) . . . .
C29 P3 C31 C32 -78.6(8) . . . .
C35 P3 C31 C32 168.4(7) . . . .
Co2 P3 C31 C32 29.4(8) . . . .
C29 P3 C31 C33 165.6(7) . . . .
C35 P3 C31 C33 52.7(8) . . . .
Co2 P3 C31 C33 -86.4(7) . . . .
C29 P3 C31 C34 41.2(8) . . . .
C35 P3 C31 C34 -71.8(8) . . . .
Co2 P3 C31 C34 149.1(6) . . . .
C29 P3 C35 C38 -70.5(9) . . . .
C31 P3 C35 C38 41.2(9) . . . .
Co2 P3 C35 C38 -179.1(7) . . . .
C29 P3 C35 C36 51.5(8) . . . .
C31 P3 C35 C36 163.3(7) . . . .
Co2 P3 C35 C36 -57.0(8) . . . .
C29 P3 C35 C37 165.6(7) . . . .
C31 P3 C35 C37 -82.7(8) . . . .
Co2 P3 C35 C37 57.1(8) . . . .
O1 P4 C39 C42 49.7(10) . . . .
C30 P4 C39 C42 -174.0(7) . . . .
C43 P4 C39 C42 -59.1(8) . . . .
Co2 P4 C39 C42 87.1(7) . . . .
O1 P4 C39 C40 -66.6(10) . . . .
C30 P4 C39 C40 69.8(7) . . . .
C43 P4 C39 C40 -175.4(7) . . . .
Co2 P4 C39 C40 -29.2(7) . . . .
O1 P4 C39 C41 175.5(9) . . . .
C30 P4 C39 C41 -48.2(7) . . . .
C43 P4 C39 C41 66.7(8) . . . .
Co2 P4 C39 C41 -147.1(6) . . . .
O1 P4 C43 C45 -29.1(10) . . . .
C30 P4 C43 C45 -158.5(7) . . . .
C39 P4 C43 C45 87.3(7) . . . .
Co2 P4 C43 C45 -54.0(8) . . . .
O1 P4 C43 C44 -152.7(9) . . . .
C30 P4 C43 C44 77.9(7) . . . .
C39 P4 C43 C44 -36.3(8) . . . .
Co2 P4 C43 C44 -177.6(5) . . . .
O1 P4 C43 C46 90.0(9) . . . .
C30 P4 C43 C46 -39.3(7) . . . .
C39 P4 C43 C46 -153.5(6) . . . .
Co2 P4 C43 C46 65.1(7) . . . .
C49 C47 C48 C49 179.998(3) 2_565 . . .
C48 C47 C49 C48 180.001(2) 2_565 . . .
