#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:28:56 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179062 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/24/4302407.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_4302407
loop_
_publ_author_name
'Lan-Chang Liang'
'Liang-Chien Cheng'
'Tzung-Ling Tsai'
'Ching-Han Hu'
'Wen-Hsin Guo'
_publ_section_title
;
Biphenolate Phosphine Complexes of Tantalum
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5697
_journal_page_last               5703
_journal_paper_doi               10.1021/ic802125z
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C80 H90 O5 P2 Ta1'
_chemical_formula_sum            'C68 H91 O5 P2 Ta'
_chemical_formula_weight         1231.30
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 91.896(11)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9740(15)
_cell_length_b                   31.433(4)
_cell_length_c                   22.293(3)
_cell_measurement_reflns_used    207031
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      25.1
_cell_measurement_theta_min      2.037
_cell_volume                     9086(2)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction        'HKL Denzo and Scalepack'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.688
_diffrn_measured_fraction_theta_max 0.688
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_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  0.1245
_diffrn_reflns_av_sigmaI/netI    0.1714
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       31
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            29182
_diffrn_reflns_theta_full        25.1
_diffrn_reflns_theta_max         25.10
_diffrn_reflns_theta_min         2.15
_exptl_absorpt_coefficient_mu    1.278
_exptl_absorpt_correction_T_max  1.0475
_exptl_absorpt_correction_T_min  0.6593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 ?
;
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    0.900
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             2568
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.03
_refine_diff_density_max         2.778
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.213
_refine_ls_extinction_coef       0.0139(9)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    fixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     648
_refine_ls_number_reflns         13434
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1682
_refine_ls_R_factor_gt           0.1116
_refine_ls_shift/su_max          0.056
_refine_ls_shift/su_mean         0.007
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1998P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3011
_refine_ls_wR_factor_ref         0.3290
_reflns_number_gt                7350
_reflns_number_total             13434
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic802125z_si_002_3.cif
_cod_data_source_block           7654
_cod_original_cell_volume        9086.4(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4302407
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
C1 C 0.5370(13) 0.1665(4) 0.3339(7) 0.047(4) Uani 1 1 d . . .
C2 C 0.5491(11) 0.1727(4) 0.3951(7) 0.043(4) Uani 1 1 d . . .
C3 C 0.6312(13) 0.1492(4) 0.4276(7) 0.052(4) Uani 1 1 d . . .
C4 C 0.6492(13) 0.1576(5) 0.4970(8) 0.056(4) Uani 1 1 d . . .
C5 C 0.5450(12) 0.1481(6) 0.5338(7) 0.068(4) Uani 1 1 d . . .
H5A H 0.5233 0.1193 0.5268 0.102 Uiso 1 1 calc R . .
H5B H 0.4913 0.1672 0.5203 0.102 Uiso 1 1 calc R . .
H5C H 0.5591 0.1523 0.5759 0.102 Uiso 1 1 calc R . .
C6 C 0.6876(15) 0.2050(6) 0.5070(10) 0.101(7) Uani 1 1 d . . .
H6A H 0.6365 0.2243 0.4909 0.152 Uiso 1 1 calc R . .
H6B H 0.7512 0.2091 0.4870 0.152 Uiso 1 1 calc R . .
H6C H 0.6983 0.2102 0.5492 0.152 Uiso 1 1 calc R . .
C7 C 0.7334(12) 0.1272(5) 0.5238(7) 0.068(4) Uani 1 1 d . . .
H7A H 0.7115 0.0983 0.5184 0.102 Uiso 1 1 calc R . .
H7B H 0.7438 0.1330 0.5659 0.102 Uiso 1 1 calc R . .
H7C H 0.7968 0.1317 0.5037 0.102 Uiso 1 1 calc R . .
C8 C 0.6730(10) 0.1190(4) 0.3988(7) 0.045(4) Uani 1 1 d . . .
H8 H 0.7177 0.1014 0.4208 0.054 Uiso 1 1 calc R . .
C9 C 0.6586(12) 0.1094(4) 0.3365(8) 0.051(4) Uani 1 1 d . . .
C10 C 0.7148(14) 0.0744(5) 0.3074(8) 0.063(5) Uani 1 1 d . . .
C11 C 0.8085(17) 0.0554(8) 0.3442(11) 0.146(8) Uani 1 1 d . . .
H11A H 0.7843 0.0419 0.3797 0.218 Uiso 1 1 calc R . .
H11B H 0.8556 0.0778 0.3553 0.218 Uiso 1 1 calc R . .
H11C H 0.8430 0.0349 0.3201 0.218 Uiso 1 1 calc R . .
C12 C 0.7613(15) 0.0922(6) 0.2508(10) 0.113(9) Uani 1 1 d . . .
H12A H 0.7077 0.1046 0.2257 0.169 Uiso 1 1 calc R . .
H12B H 0.7941 0.0697 0.2295 0.169 Uiso 1 1 calc R . .
H12C H 0.8113 0.1136 0.2616 0.169 Uiso 1 1 calc R . .
C13 C 0.6296(19) 0.0366(8) 0.2886(12) 0.146(8) Uani 1 1 d . . .
H13A H 0.6039 0.0240 0.3244 0.218 Uiso 1 1 calc R . .
H13B H 0.6625 0.0152 0.2652 0.218 Uiso 1 1 calc R . .
H13C H 0.5734 0.0489 0.2655 0.218 Uiso 1 1 calc R . .
C14 C 0.5887(11) 0.1346(5) 0.3066(7) 0.047(4) Uani 1 1 d . . .
H14 H 0.5756 0.1297 0.2659 0.056 Uiso 1 1 calc R . .
C15 C 0.4801(14) 0.2086(6) 0.2226(9) 0.078(6) Uani 1 1 d . . .
C16 C 0.5791(17) 0.2277(7) 0.2217(10) 0.091(7) Uani 1 1 d . . .
H16 H 0.6146 0.2369 0.2562 0.109 Uiso 1 1 calc R . .
C17 C 0.6194(16) 0.2317(7) 0.1634(11) 0.084(7) Uani 1 1 d . . .
H17 H 0.6827 0.2447 0.1578 0.101 Uiso 1 1 calc R . .
C18 C 0.5589(17) 0.2150(7) 0.1135(9) 0.081(4) Uani 1 1 d . . .
H18 H 0.5879 0.2136 0.0759 0.097 Uiso 1 1 calc R . .
C19 C 0.4656(17) 0.2018(6) 0.1193(9) 0.081(4) Uani 1 1 d . . .
H19 H 0.4261 0.1966 0.0845 0.097 Uiso 1 1 calc R . .
C20 C 0.4200(15) 0.1949(5) 0.1736(9) 0.061(5) Uani 1 1 d . . .
H20 H 0.3555 0.1824 0.1769 0.074 Uiso 1 1 calc R . .
C21 C 0.3123(11) 0.1753(4) 0.3009(6) 0.038(3) Uani 1 1 d . . .
C22 C 0.2451(11) 0.1927(4) 0.3409(8) 0.051(4) Uani 1 1 d . . .
C23 C 0.1423(13) 0.1769(5) 0.3442(8) 0.061(5) Uani 1 1 d . . .
C24 C 0.0639(11) 0.1974(5) 0.3840(6) 0.046(4) Uani 1 1 d . . .
C25 C 0.1064(13) 0.1923(6) 0.4525(8) 0.076(6) Uani 1 1 d . . .
H25A H 0.1122 0.1626 0.4622 0.114 Uiso 1 1 calc R . .
H25B H 0.0593 0.2056 0.4790 0.114 Uiso 1 1 calc R . .
H25C H 0.1728 0.2055 0.4570 0.114 Uiso 1 1 calc R . .
C26 C 0.0514(14) 0.2425(5) 0.3681(12) 0.085(7) Uani 1 1 d . . .
H26A H -0.0006 0.2549 0.3921 0.128 Uiso 1 1 calc R . .
H26B H 0.0311 0.2448 0.3264 0.128 Uiso 1 1 calc R . .
H26C H 0.1156 0.2571 0.3753 0.128 Uiso 1 1 calc R . .
C27 C -0.0448(12) 0.1741(6) 0.3783(7) 0.071(5) Uani 1 1 d . . .
H27A H -0.0369 0.1449 0.3899 0.106 Uiso 1 1 calc R . .
H27B H -0.0705 0.1756 0.3375 0.106 Uiso 1 1 calc R . .
H27C H -0.0925 0.1878 0.4040 0.106 Uiso 1 1 calc R . .
C28 C 0.1173(11) 0.1408(5) 0.3094(7) 0.051(4) Uani 1 1 d . . .
H28 H 0.0515 0.1293 0.3117 0.061 Uiso 1 1 calc R . .
C29 C 0.1878(11) 0.1213(4) 0.2710(7) 0.043(4) Uani 1 1 d . . .
C30 C 0.1555(13) 0.0831(5) 0.2328(8) 0.059(5) Uani 1 1 d . . .
C31 C 0.0594(14) 0.0940(7) 0.1931(9) 0.101(8) Uani 1 1 d . . .
H31A H 0.0752 0.1171 0.1668 0.151 Uiso 1 1 calc R . .
H31B H 0.0038 0.1021 0.2181 0.151 Uiso 1 1 calc R . .
H31C H 0.0394 0.0696 0.1697 0.151 Uiso 1 1 calc R . .
C32 C 0.1243(18) 0.0486(6) 0.2766(11) 0.123(10) Uani 1 1 d . . .
H32A H 0.0799 0.0606 0.3058 0.184 Uiso 1 1 calc R . .
H32B H 0.1848 0.0371 0.2965 0.184 Uiso 1 1 calc R . .
H32C H 0.0884 0.0264 0.2551 0.184 Uiso 1 1 calc R . .
C33 C 0.2434(16) 0.0685(6) 0.1864(8) 0.098(7) Uani 1 1 d . . .
H33A H 0.2609 0.0921 0.1614 0.147 Uiso 1 1 calc R . .
H33B H 0.2172 0.0456 0.1617 0.147 Uiso 1 1 calc R . .
H33C H 0.3037 0.0591 0.2087 0.147 Uiso 1 1 calc R . .
C34 C 0.2859(13) 0.1390(4) 0.2720(7) 0.054(4) Uani 1 1 d . . .
H34 H 0.3369 0.1249 0.2514 0.065 Uiso 1 1 calc R . .
C35 C 0.2640(11) 0.3372(4) 0.3218(9) 0.056(5) Uani 1 1 d . . .
C36 C 0.2633(12) 0.3366(4) 0.3835(7) 0.047(4) Uani 1 1 d . . .
C37 C 0.1956(11) 0.3647(4) 0.4102(7) 0.046(4) Uani 1 1 d . . .
C38 C 0.1839(14) 0.3632(5) 0.4814(8) 0.061(5) Uani 1 1 d . . .
C39 C 0.2903(16) 0.3733(6) 0.5119(8) 0.088(6) Uani 1 1 d . . .
H39A H 0.2847 0.3722 0.5547 0.133 Uiso 1 1 calc R . .
H39B H 0.3121 0.4012 0.5003 0.133 Uiso 1 1 calc R . .
H39C H 0.3399 0.3527 0.4996 0.133 Uiso 1 1 calc R . .
C40 C 0.1425(15) 0.3196(6) 0.4995(8) 0.089(7) Uani 1 1 d . . .
H40A H 0.0806 0.3134 0.4764 0.133 Uiso 1 1 calc R . .
H40B H 0.1277 0.3197 0.5414 0.133 Uiso 1 1 calc R . .
H40C H 0.1933 0.2982 0.4921 0.133 Uiso 1 1 calc R . .
C41 C 0.1006(14) 0.3954(5) 0.4996(7) 0.079(6) Uani 1 1 d . . .
H41A H 0.0360 0.3881 0.4800 0.118 Uiso 1 1 calc R . .
H41B H 0.1206 0.4235 0.4878 0.118 Uiso 1 1 calc R . .
H41C H 0.0934 0.3946 0.5423 0.118 Uiso 1 1 calc R . .
C42 C 0.1440(12) 0.3917(5) 0.3777(8) 0.057(3) Uani 1 1 d . . .
H42 H 0.1027 0.4109 0.3978 0.069 Uiso 1 1 calc R . .
C43 C 0.1443(13) 0.3948(5) 0.3139(7) 0.054(4) Uani 1 1 d . . .
C44 C 0.0842(12) 0.4298(5) 0.2812(7) 0.047(4) Uani 1 1 d . . .
C45 C -0.0280(15) 0.4255(6) 0.2933(10) 0.109(6) Uani 1 1 d . . .
H45A H -0.0378 0.4272 0.3357 0.164 Uiso 1 1 calc R . .
H45B H -0.0526 0.3985 0.2785 0.164 Uiso 1 1 calc R . .
H45C H -0.0656 0.4480 0.2733 0.164 Uiso 1 1 calc R . .
C46 C 0.1218(12) 0.4729(5) 0.2987(9) 0.085(7) Uani 1 1 d . . .
H46A H 0.1171 0.4764 0.3413 0.128 Uiso 1 1 calc R . .
H46B H 0.0802 0.4940 0.2785 0.128 Uiso 1 1 calc R . .
H46C H 0.1923 0.4760 0.2877 0.128 Uiso 1 1 calc R . .
C47 C 0.0980(16) 0.4268(6) 0.2171(11) 0.109(6) Uani 1 1 d . . .
H47A H 0.0781 0.3989 0.2033 0.164 Uiso 1 1 calc R . .
H47B H 0.1691 0.4316 0.2087 0.164 Uiso 1 1 calc R . .
H47C H 0.0559 0.4478 0.1968 0.164 Uiso 1 1 calc R . .
C48 C 0.2134(13) 0.3660(5) 0.2870(8) 0.057(3) Uani 1 1 d . . .
H48 H 0.2235 0.3670 0.2459 0.069 Uiso 1 1 calc R . .
C49 C 0.3142(10) 0.2890(4) 0.2185(6) 0.039(3) Uani 1 1 d . . .
C50 C 0.2257(15) 0.2679(5) 0.2160(8) 0.058(5) Uani 1 1 d . . .
H50 H 0.1961 0.2607 0.2520 0.070 Uiso 1 1 calc R . .
C51 C 0.1793(17) 0.2571(6) 0.1681(14) 0.089(9) Uani 1 1 d . . .
H51 H 0.1182 0.2417 0.1688 0.106 Uiso 1 1 calc R . .
C52 C 0.2248(16) 0.2697(6) 0.1089(10) 0.076(6) Uani 1 1 d . . .
H52 H 0.1918 0.2649 0.0718 0.091 Uiso 1 1 calc R . .
C53 C 0.3331(15) 0.2916(6) 0.1162(11) 0.091(7) Uani 1 1 d . . .
H53 H 0.3720 0.2980 0.0831 0.109 Uiso 1 1 calc R . .
C54 C 0.3661(13) 0.3005(4) 0.1702(7) 0.046(4) Uani 1 1 d . . .
H54 H 0.4278 0.3152 0.1756 0.055 Uiso 1 1 calc R . .
C55 C 0.4795(13) 0.3296(5) 0.2937(7) 0.053(4) Uani 1 1 d . . .
C56 C 0.5570(13) 0.3175(4) 0.3369(8) 0.053(4) Uani 1 1 d . . .
C57 C 0.6476(13) 0.3394(5) 0.3450(8) 0.059(5) Uani 1 1 d . . .
C58 C 0.7324(18) 0.3229(7) 0.3931(9) 0.097(8) Uani 1 1 d . . .
C59 C 0.6864(15) 0.3279(7) 0.4574(8) 0.089(5) Uani 1 1 d . . .
H59A H 0.6271 0.3099 0.4604 0.134 Uiso 1 1 calc R . .
H59B H 0.6666 0.3570 0.4633 0.134 Uiso 1 1 calc R . .
H59C H 0.7375 0.3200 0.4874 0.134 Uiso 1 1 calc R . .
C60 C 0.7599(16) 0.2767(7) 0.3803(8) 0.089(5) Uani 1 1 d . . .
H60A H 0.6987 0.2595 0.3807 0.134 Uiso 1 1 calc R . .
H60B H 0.8085 0.2667 0.4104 0.134 Uiso 1 1 calc R . .
H60C H 0.7899 0.2747 0.3415 0.134 Uiso 1 1 calc R . .
C61 C 0.8300(13) 0.3519(9) 0.3921(8) 0.138(12) Uani 1 1 d . . .
H61A H 0.8809 0.3415 0.4208 0.207 Uiso 1 1 calc R . .
H61B H 0.8113 0.3805 0.4023 0.207 Uiso 1 1 calc R . .
H61C H 0.8577 0.3515 0.3527 0.207 Uiso 1 1 calc R . .
C62 C 0.6616(13) 0.3730(5) 0.3059(7) 0.058(5) Uani 1 1 d . . .
H62 H 0.7240 0.3875 0.3092 0.070 Uiso 1 1 calc R . .
C63 C 0.5939(14) 0.3862(4) 0.2641(7) 0.054(4) Uani 1 1 d . . .
C64 C 0.6202(15) 0.4259(5) 0.2251(9) 0.078(6) Uani 1 1 d . . .
C65 C 0.7054(15) 0.4140(7) 0.1833(9) 0.096(7) Uani 1 1 d . . .
H65A H 0.7273 0.4389 0.1622 0.144 Uiso 1 1 calc R . .
H65B H 0.6801 0.3932 0.1548 0.144 Uiso 1 1 calc R . .
H65C H 0.7627 0.4024 0.2062 0.144 Uiso 1 1 calc R . .
C66 C 0.627(2) 0.4661(6) 0.2674(8) 0.126(10) Uani 1 1 d . . .
H66A H 0.6523 0.4899 0.2454 0.189 Uiso 1 1 calc R . .
H66B H 0.6732 0.4602 0.3009 0.189 Uiso 1 1 calc R . .
H66C H 0.5598 0.4725 0.2817 0.189 Uiso 1 1 calc R . .
C67 C 0.5216 0.4355 0.1770(9) 0.120(9) Uani 1 1 d . . .
H67A H 0.5383 0.4591 0.1517 0.180 Uiso 1 1 calc R . .
H67B H 0.4612 0.4421 0.1989 0.180 Uiso 1 1 calc R . .
H67C H 0.5086 0.4108 0.1526 0.180 Uiso 1 1 calc R . .
C68 C 0.4987(13) 0.3645(5) 0.2569(6) 0.053(4) Uani 1 1 d . . .
H68 H 0.4498 0.3733 0.2281 0.064 Uiso 1 1 calc R . .
Ta1 Ta 0.40519(5) 0.254712(16) 0.39546(3) 0.0395(3) Uani 1 1 d . . .
O1 O 0.4121(10) 0.2582(3) 0.4843(5) 0.059(3) Uani 1 1 d . . .
H1 H 0.3611 0.2467 0.4979 0.088 Uiso 1 1 calc R . .
O2 O 0.4896(8) 0.2038(3) 0.4225(5) 0.055(3) Uani 1 1 d . . .
O3 O 0.2728(7) 0.2237(3) 0.3807(4) 0.039(2) Uani 1 1 d . . .
O4 O 0.3181(8) 0.3076(3) 0.4138(4) 0.054(3) Uani 1 1 d . . .
O5 O 0.5334(6) 0.2838(3) 0.3756(4) 0.035(2) Uani 1 1 d . . .
P1 P 0.4378(3) 0.20144(11) 0.30279(18) 0.0425(10) Uani 1 1 d . . .
P2 P 0.3613(3) 0.30046(11) 0.29438(18) 0.0449(10) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ta Ta -0.7052 6.5227 '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
_geom_angle_publ_flag
C14 C1 C2 120.1(15) . . ?
C14 C1 P1 129.0(13) . . ?
C2 C1 P1 110.4(11) . . ?
C1 C2 O2 118.9(13) . . ?
C1 C2 C3 118.3(14) . . ?
O2 C2 C3 122.6(14) . . ?
C8 C3 C2 116.1(15) . . ?
C8 C3 C4 124.4(14) . . ?
C2 C3 C4 118.7(13) . . ?
C7 C4 C3 110.7(13) . . ?
C7 C4 C6 108.0(14) . . ?
C3 C4 C6 109.3(14) . . ?
C7 C4 C5 106.2(13) . . ?
C3 C4 C5 111.3(13) . . ?
C6 C4 C5 111.2(14) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
C4 C7 H7A 109.5 . . ?
C4 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C4 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C3 C8 C9 127.1(14) . . ?
C3 C8 H8 116.5 . . ?
C9 C8 H8 116.5 . . ?
C14 C9 C8 114.6(14) . . ?
C14 C9 C10 123.1(16) . . ?
C8 C9 C10 122.3(15) . . ?
C9 C10 C12 107.8(14) . . ?
C9 C10 C11 116.0(15) . . ?
C12 C10 C11 104.7(17) . . ?
C9 C10 C13 107.8(14) . . ?
C12 C10 C13 109.4(17) . . ?
C11 C10 C13 110.9(16) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.4 . . ?
H11A C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C9 C14 C1 122.7(15) . . ?
C9 C14 H14 118.7 . . ?
C1 C14 H14 118.7 . . ?
C20 C15 C16 127.1(18) . . ?
C20 C15 P1 122.1(13) . . ?
C16 C15 P1 110.8(17) . . ?
C15 C16 C17 114(2) . . ?
C15 C16 H16 122.8 . . ?
C17 C16 H16 122.8 . . ?
C16 C17 C18 118(2) . . ?
C16 C17 H17 121.1 . . ?
C18 C17 H17 121.1 . . ?
C19 C18 C17 122(2) . . ?
C19 C18 H18 119.1 . . ?
C17 C18 H18 119.1 . . ?
C18 C19 C20 125(2) . . ?
C18 C19 H19 117.6 . . ?
C20 C19 H19 117.6 . . ?
C19 C20 C15 113.3(18) . . ?
C19 C20 H20 123.4 . . ?
C15 C20 H20 123.4 . . ?
C34 C21 C22 119.1(15) . . ?
C34 C21 P1 127.3(12) . . ?
C22 C21 P1 112.9(10) . . ?
O3 C22 C21 123.1(13) . . ?
O3 C22 C23 116.3(13) . . ?
C21 C22 C23 120.5(13) . . ?
C28 C23 C22 116.8(14) . . ?
C28 C23 C24 121.3(14) . . ?
C22 C23 C24 121.9(13) . . ?
C26 C24 C23 109.9(14) . . ?
C26 C24 C27 109.5(14) . . ?
C23 C24 C27 111.5(12) . . ?
C26 C24 C25 111.0(14) . . ?
C23 C24 C25 107.2(14) . . ?
C27 C24 C25 107.7(12) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.4 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C24 C27 H27A 109.5 . . ?
C24 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C24 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C23 C28 C29 122.8(13) . . ?
C23 C28 H28 118.6 . . ?
C29 C28 H28 118.6 . . ?
C34 C29 C28 115.3(13) . . ?
C34 C29 C30 124.1(14) . . ?
C28 C29 C30 120.6(13) . . ?
C31 C30 C32 107.4(17) . . ?
C31 C30 C29 110.3(14) . . ?
C32 C30 C29 106.1(15) . . ?
C31 C30 C33 105.5(15) . . ?
C32 C30 C33 114.4(14) . . ?
C29 C30 C33 113.1(13) . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.4 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C30 C33 H33A 109.5 . . ?
C30 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C30 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
C21 C34 C29 124.4(15) . . ?
C21 C34 H34 117.8 . . ?
C29 C34 H34 117.8 . . ?
C48 C35 C36 124.5(15) . . ?
C48 C35 P2 124.0(15) . . ?
C36 C35 P2 110.6(11) . . ?
O4 C36 C35 119.9(12) . . ?
O4 C36 C37 123.6(14) . . ?
C35 C36 C37 116.3(14) . . ?
C42 C37 C36 120.1(16) . . ?
C42 C37 C38 120.8(15) . . ?
C36 C37 C38 119.1(13) . . ?
C40 C38 C41 105.3(14) . . ?
C40 C38 C39 112.4(16) . . ?
C41 C38 C39 111.9(15) . . ?
C40 C38 C37 109.4(14) . . ?
C41 C38 C37 109.3(13) . . ?
C39 C38 C37 108.5(13) . . ?
C38 C39 H39A 109.5 . . ?
C38 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C38 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C38 C40 H40A 109.5 . . ?
C38 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C38 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
C38 C41 H41A 109.5 . . ?
C38 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C38 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C37 C42 C43 126.0(16) . . ?
C37 C42 H42 117.0 . . ?
C43 C42 H42 117.0 . . ?
C42 C43 C48 113.6(15) . . ?
C42 C43 C44 120.7(14) . . ?
C48 C43 C44 125.3(14) . . ?
C47 C44 C46 105.5(14) . . ?
C47 C44 C45 108.9(17) . . ?
C46 C44 C45 110.4(14) . . ?
C47 C44 C43 110.4(13) . . ?
C46 C44 C43 111.9(14) . . ?
C45 C44 C43 109.6(13) . . ?
C44 C45 H45A 109.5 . . ?
C44 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C44 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C44 C46 H46A 109.5 . . ?
C44 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C44 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C44 C47 H47A 109.5 . . ?
C44 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C44 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C35 C48 C43 119.1(17) . . ?
C35 C48 H48 120.4 . . ?
C43 C48 H48 120.4 . . ?
C50 C49 C54 124.0(15) . . ?
C50 C49 P2 113.7(12) . . ?
C54 C49 P2 122.2(12) . . ?
C51 C50 C49 124(2) . . ?
C51 C50 H50 117.9 . . ?
C49 C50 H50 118.0 . . ?
C50 C51 C52 119(2) . . ?
C50 C51 H51 120.7 . . ?
C52 C51 H51 120.6 . . ?
C51 C52 C53 113.4(17) . . ?
C51 C52 H52 123.3 . . ?
C53 C52 H52 123.3 . . ?
C54 C53 C52 117.4(18) . . ?
C54 C53 H53 121.3 . . ?
C52 C53 H53 121.3 . . ?
C53 C54 C49 122.0(17) . . ?
C53 C54 H54 119.0 . . ?
C49 C54 H54 119.0 . . ?
C68 C55 C56 118.1(15) . . ?
C68 C55 P2 125.2(14) . . ?
C56 C55 P2 116.5(12) . . ?
C57 C56 O5 120.0(16) . . ?
C57 C56 C55 122.8(14) . . ?
O5 C56 C55 117.0(14) . . ?
C56 C57 C62 115.4(16) . . ?
C56 C57 C58 119.7(14) . . ?
C62 C57 C58 124.6(15) . . ?
C60 C58 C61 111(2) . . ?
C60 C58 C59 111.4(15) . . ?
C61 C58 C59 106.5(16) . . ?
C60 C58 C57 110.1(15) . . ?
C61 C58 C57 110.0(14) . . ?
C59 C58 C57 107.6(19) . . ?
C58 C59 H59A 109.5 . . ?
C58 C59 H59B 109.5 . . ?
H59A C59 H59B 109.5 . . ?
C58 C59 H59C 109.5 . . ?
H59A C59 H59C 109.5 . . ?
H59B C59 H59C 109.5 . . ?
C58 C60 H60A 109.5 . . ?
C58 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C58 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C58 C61 H61A 109.5 . . ?
C58 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C58 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C63 C62 C57 125.7(16) . . ?
C63 C62 H62 117.1 . . ?
C57 C62 H62 117.2 . . ?
C62 C63 C68 118.9(14) . . ?
C62 C63 C64 119.3(16) . . ?
C68 C63 C64 121.8(16) . . ?
C65 C64 C66 122.5(18) . . ?
C65 C64 C63 108.9(15) . . ?
C66 C64 C63 108.3(15) . . ?
C65 C64 C67 102.0(15) . . ?
C66 C64 C67 105.4(14) . . ?
C63 C64 C67 109.0(13) . . ?
C64 C65 H65A 109.5 . . ?
C64 C65 H65B 109.5 . . ?
H65A C65 H65B 109.5 . . ?
C64 C65 H65C 109.5 . . ?
H65A C65 H65C 109.5 . . ?
H65B C65 H65C 109.5 . . ?
C64 C66 H66A 109.5 . . ?
C64 C66 H66B 109.5 . . ?
H66A C66 H66B 109.5 . . ?
C64 C66 H66C 109.4 . . ?
H66A C66 H66C 109.5 . . ?
H66B C66 H66C 109.5 . . ?
C64 C67 H67A 109.5 . . ?
C64 C67 H67B 109.5 . . ?
H67A C67 H67B 109.5 . . ?
C64 C67 H67C 109.5 . . ?
H67A C67 H67C 109.5 . . ?
H67B C67 H67C 109.5 . . ?
C55 C68 C63 118.9(15) . . ?
C55 C68 H68 120.5 . . ?
C63 C68 H68 120.6 . . ?
O5 Ta1 O1 100.9(4) . . ?
O5 Ta1 O3 157.5(4) . . ?
O1 Ta1 O3 101.7(4) . . ?
O5 Ta1 O2 88.9(4) . . ?
O1 Ta1 O2 74.9(4) . . ?
O3 Ta1 O2 96.8(4) . . ?
O5 Ta1 O4 98.3(4) . . ?
O1 Ta1 O4 76.3(4) . . ?
O3 Ta1 O4 87.3(4) . . ?
O2 Ta1 O4 151.1(4) . . ?
O5 Ta1 P1 87.8(3) . . ?
O1 Ta1 P1 142.6(3) . . ?
O3 Ta1 P1 74.1(3) . . ?
O2 Ta1 P1 69.0(3) . . ?
O4 Ta1 P1 138.8(3) . . ?
O5 Ta1 P2 73.9(3) . . ?
O1 Ta1 P2 143.1(3) . . ?
O3 Ta1 P2 88.1(3) . . ?
O2 Ta1 P2 139.8(3) . . ?
O4 Ta1 P2 68.7(3) . . ?
P1 Ta1 P2 74.20(12) . . ?
Ta1 O1 H1 109.5 . . ?
C2 O2 Ta1 136.5(9) . . ?
C22 O3 Ta1 131.8(9) . . ?
C36 O4 Ta1 137.8(9) . . ?
C56 O5 Ta1 133.8(9) . . ?
C1 P1 C21 111.0(6) . . ?
C1 P1 C15 102.0(8) . . ?
C21 P1 C15 108.5(8) . . ?
C1 P1 Ta1 102.1(5) . . ?
C21 P1 Ta1 97.8(5) . . ?
C15 P1 Ta1 134.7(6) . . ?
C55 P2 C49 110.9(7) . . ?
C55 P2 C35 106.3(7) . . ?
C49 P2 C35 102.8(8) . . ?
C55 P2 Ta1 97.0(6) . . ?
C49 P2 Ta1 136.3(5) . . ?
C35 P2 Ta1 100.7(6) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 C14 1.362(19) . ?
C1 C2 1.382(19) . ?
C1 P1 1.812(16) . ?
C2 O2 1.400(16) . ?
C2 C3 1.468(19) . ?
C3 C8 1.275(18) . ?
C3 C4 1.58(2) . ?
C4 C7 1.554(19) . ?
C4 C6 1.58(2) . ?
C4 C5 1.63(2) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 H6A 0.9600 . ?
C6 H6B 0.9600 . ?
C6 H6C 0.9600 . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.43(2) . ?
C8 H8 0.9300 . ?
C9 C14 1.362(19) . ?
C9 C10 1.48(2) . ?
C10 C12 1.52(2) . ?
C10 C11 1.56(2) . ?
C10 C13 1.67(3) . ?
C11 H11A 0.9600 . ?
C11 H11B 0.9600 . ?
C11 H11C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 0.9600 . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14 0.9300 . ?
C15 C20 1.39(2) . ?
C15 C16 1.42(3) . ?
C15 P1 1.900(18) . ?
C16 C17 1.42(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.44(3) . ?
C17 H17 0.9300 . ?
C18 C19 1.29(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.38(2) . ?
C19 H19 0.9300 . ?
C20 H20 0.9300 . ?
C21 C34 1.348(18) . ?
C21 C22 1.381(18) . ?
C21 P1 1.822(15) . ?
C22 O3 1.359(16) . ?
C22 C23 1.427(19) . ?
C23 C28 1.406(19) . ?
C23 C24 1.517(18) . ?
C24 C26 1.47(2) . ?
C24 C27 1.590(18) . ?
C24 C25 1.61(2) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 C29 1.413(18) . ?
C28 H28 0.9300 . ?
C29 C34 1.389(19) . ?
C29 C30 1.522(19) . ?
C30 C31 1.54(2) . ?
C30 C32 1.52(3) . ?
C30 C33 1.63(2) . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34 0.9300 . ?
C35 C48 1.35(2) . ?
C35 C36 1.38(2) . ?
C35 P2 1.832(15) . ?
C36 O4 1.327(16) . ?
C36 C37 1.393(18) . ?
C37 C42 1.288(19) . ?
C37 C38 1.60(2) . ?
C38 C40 1.53(2) . ?
C38 C41 1.544(19) . ?
C38 C39 1.55(2) . ?
C39 H39A 0.9600 . ?
C39 H39B 0.9600 . ?
C39 H39C 0.9600 . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 C43 1.426(19) . ?
C42 H42 0.9300 . ?
C43 C48 1.42(2) . ?
C43 C44 1.52(2) . ?
C44 C47 1.45(3) . ?
C44 C46 1.49(2) . ?
C44 C45 1.49(2) . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48 0.9300 . ?
C49 C50 1.33(2) . ?
C49 C54 1.338(18) . ?
C49 P2 1.817(15) . ?
C50 C51 1.26(3) . ?
C50 H50 0.9300 . ?
C51 C52 1.52(3) . ?
C51 H51 0.9300 . ?
C52 C53 1.57(2) . ?
C52 H52 0.9300 . ?
C53 C54 1.29(2) . ?
C53 H53 0.9300 . ?
C54 H54 0.9300 . ?
C55 C68 1.40(2) . ?
C55 C56 1.42(2) . ?
C55 P2 1.786(17) . ?
C56 C57 1.37(2) . ?
C56 O5 1.408(16) . ?
C57 C62 1.39(2) . ?
C57 C58 1.60(2) . ?
C58 C60 1.52(3) . ?
C58 C61 1.56(2) . ?
C58 C59 1.58(2) . ?
C59 H59A 0.9600 . ?
C59 H59B 0.9600 . ?
C59 H59C 0.9600 . ?
C60 H60A 0.9600 . ?
C60 H60B 0.9600 . ?
C60 H60C 0.9600 . ?
C61 H61A 0.9600 . ?
C61 H61B 0.9600 . ?
C61 H61C 0.9600 . ?
C62 C63 1.33(2) . ?
C62 H62 0.9300 . ?
C63 C68 1.42(2) . ?
C63 C64 1.57(2) . ?
C64 C65 1.52(2) . ?
C64 C66 1.58(3) . ?
C64 C67 1.67(2) . ?
C65 H65A 0.9600 . ?
C65 H65B 0.9600 . ?
C65 H65C 0.9600 . ?
C66 H66A 0.9600 . ?
C66 H66B 0.9600 . ?
C66 H66C 0.9600 . ?
C67 H67A 0.9600 . ?
C67 H67B 0.9600 . ?
C67 H67C 0.9600 . ?
C68 H68 0.9300 . ?
Ta1 O5 1.961(8) . ?
Ta1 O1 1.983(12) . ?
Ta1 O3 1.993(9) . ?
Ta1 O2 2.019(10) . ?
Ta1 O4 2.060(10) . ?
Ta1 P1 2.703(4) . ?
Ta1 P2 2.718(4) . ?
O1 H1 0.8200 . ?
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
_geom_torsion_publ_flag
C14 C1 C2 O2 -175.6(13) . . . . ?
P1 C1 C2 O2 -2.1(16) . . . . ?
C14 C1 C2 C3 11(2) . . . . ?
P1 C1 C2 C3 -175.9(10) . . . . ?
C1 C2 C3 C8 -13(2) . . . . ?
O2 C2 C3 C8 173.9(13) . . . . ?
C1 C2 C3 C4 177.1(13) . . . . ?
O2 C2 C3 C4 3(2) . . . . ?
C8 C3 C4 C7 6(2) . . . . ?
C2 C3 C4 C7 175.6(13) . . . . ?
C8 C3 C4 C6 125.0(17) . . . . ?
C2 C3 C4 C6 -65.5(18) . . . . ?
C8 C3 C4 C5 -111.8(18) . . . . ?
C2 C3 C4 C5 57.8(17) . . . . ?
C2 C3 C8 C9 9(2) . . . . ?
C4 C3 C8 C9 178.9(14) . . . . ?
C3 C8 C9 C14 -3(2) . . . . ?
C3 C8 C9 C10 177.4(16) . . . . ?
C14 C9 C10 C12 50(2) . . . . ?
C8 C9 C10 C12 -130.4(16) . . . . ?
C14 C9 C10 C11 167.1(17) . . . . ?
C8 C9 C10 C11 -14(2) . . . . ?
C14 C9 C10 C13 -68(2) . . . . ?
C8 C9 C10 C13 111.5(18) . . . . ?
C8 C9 C14 C1 0(2) . . . . ?
C10 C9 C14 C1 179.8(15) . . . . ?
C2 C1 C14 C9 -5(2) . . . . ?
P1 C1 C14 C9 -176.8(12) . . . . ?
C20 C15 C16 C17 -2(3) . . . . ?
P1 C15 C16 C17 176.2(14) . . . . ?
C15 C16 C17 C18 -2(3) . . . . ?
C16 C17 C18 C19 9(3) . . . . ?
C17 C18 C19 C20 -12(3) . . . . ?
C18 C19 C20 C15 8(3) . . . . ?
C16 C15 C20 C19 0(3) . . . . ?
P1 C15 C20 C19 -178.1(13) . . . . ?
C34 C21 C22 O3 166.1(14) . . . . ?
P1 C21 C22 O3 -4.9(19) . . . . ?
C34 C21 C22 C23 -11(2) . . . . ?
P1 C21 C22 C23 178.2(12) . . . . ?
O3 C22 C23 C28 -171.2(14) . . . . ?
C21 C22 C23 C28 6(2) . . . . ?
O3 C22 C23 C24 8(2) . . . . ?
C21 C22 C23 C24 -175.1(15) . . . . ?
C28 C23 C24 C26 -123.7(17) . . . . ?
C22 C23 C24 C26 57(2) . . . . ?
C28 C23 C24 C27 -2(2) . . . . ?
C22 C23 C24 C27 178.9(15) . . . . ?
C28 C23 C24 C25 115.6(17) . . . . ?
C22 C23 C24 C25 -63(2) . . . . ?
C22 C23 C28 C29 -2(3) . . . . ?
C24 C23 C28 C29 178.9(15) . . . . ?
C23 C28 C29 C34 3(2) . . . . ?
C23 C28 C29 C30 -178.2(16) . . . . ?
C34 C29 C30 C31 -125.3(17) . . . . ?
C28 C29 C30 C31 56(2) . . . . ?
C34 C29 C30 C32 118.7(18) . . . . ?
C28 C29 C30 C32 -60(2) . . . . ?
C34 C29 C30 C33 -7(2) . . . . ?
C28 C29 C30 C33 173.7(15) . . . . ?
C22 C21 C34 C29 12(2) . . . . ?
P1 C21 C34 C29 -178.1(11) . . . . ?
C28 C29 C34 C21 -8(2) . . . . ?
C30 C29 C34 C21 173.0(15) . . . . ?
C48 C35 C36 O4 -178.1(15) . . . . ?
P2 C35 C36 O4 -8.7(18) . . . . ?
C48 C35 C36 C37 8(2) . . . . ?
P2 C35 C36 C37 177.2(11) . . . . ?
O4 C36 C37 C42 -179.2(15) . . . . ?
C35 C36 C37 C42 -5(2) . . . . ?
O4 C36 C37 C38 1(2) . . . . ?
C35 C36 C37 C38 175.2(13) . . . . ?
C42 C37 C38 C40 118.6(17) . . . . ?
C36 C37 C38 C40 -62.1(19) . . . . ?
C42 C37 C38 C41 4(2) . . . . ?
C36 C37 C38 C41 -176.9(14) . . . . ?
C42 C37 C38 C39 -118.5(16) . . . . ?
C36 C37 C38 C39 60.9(18) . . . . ?
C36 C37 C42 C43 4(3) . . . . ?
C38 C37 C42 C43 -177.1(14) . . . . ?
C37 C42 C43 C48 -3(2) . . . . ?
C37 C42 C43 C44 -176.7(16) . . . . ?
C42 C43 C44 C47 179.0(15) . . . . ?
C48 C43 C44 C47 6(2) . . . . ?
C42 C43 C44 C46 61.8(19) . . . . ?
C48 C43 C44 C46 -110.9(18) . . . . ?
C42 C43 C44 C45 -61(2) . . . . ?
C48 C43 C44 C45 126.3(18) . . . . ?
C36 C35 C48 C43 -8(2) . . . . ?
P2 C35 C48 C43 -175.9(12) . . . . ?
C42 C43 C48 C35 5(2) . . . . ?
C44 C43 C48 C35 178.1(15) . . . . ?
C54 C49 C50 C51 -2(3) . . . . ?
P2 C49 C50 C51 179.4(16) . . . . ?
C49 C50 C51 C52 -2(3) . . . . ?
C50 C51 C52 C53 6(3) . . . . ?
C51 C52 C53 C54 -7(2) . . . . ?
C52 C53 C54 C49 4(3) . . . . ?
C50 C49 C54 C53 0(3) . . . . ?
P2 C49 C54 C53 178.9(14) . . . . ?
C68 C55 C56 C57 2(2) . . . . ?
P2 C55 C56 C57 -174.1(13) . . . . ?
C68 C55 C56 O5 176.5(12) . . . . ?
P2 C55 C56 O5 0.3(18) . . . . ?
O5 C56 C57 C62 -177.6(14) . . . . ?
C55 C56 C57 C62 -3(3) . . . . ?
O5 C56 C57 C58 8(3) . . . . ?
C55 C56 C57 C58 -178.0(17) . . . . ?
C56 C57 C58 C60 55(3) . . . . ?
C62 C57 C58 C60 -119.1(19) . . . . ?
C56 C57 C58 C61 177.7(18) . . . . ?
C62 C57 C58 C61 4(3) . . . . ?
C56 C57 C58 C59 -67(2) . . . . ?
C62 C57 C58 C59 119.3(19) . . . . ?
C56 C57 C62 C63 3(3) . . . . ?
C58 C57 C62 C63 177.3(19) . . . . ?
C57 C62 C63 C68 -1(3) . . . . ?
C57 C62 C63 C64 177.8(17) . . . . ?
C62 C63 C64 C65 70(2) . . . . ?
C68 C63 C64 C65 -111.3(18) . . . . ?
C62 C63 C64 C66 -65(2) . . . . ?
C68 C63 C64 C66 113.4(19) . . . . ?
C62 C63 C64 C67 -179.6(15) . . . . ?
C68 C63 C64 C67 -1(2) . . . . ?
C56 C55 C68 C63 0(2) . . . . ?
P2 C55 C68 C63 175.8(11) . . . . ?
C62 C63 C68 C55 0(2) . . . . ?
C64 C63 C68 C55 -179.3(14) . . . . ?
C1 C2 O2 Ta1 -16.7(19) . . . . ?
C3 C2 O2 Ta1 156.8(11) . . . . ?
O5 Ta1 O2 C2 -69.5(12) . . . . ?
O1 Ta1 O2 C2 -171.1(13) . . . . ?
O3 Ta1 O2 C2 88.6(12) . . . . ?
O4 Ta1 O2 C2 -174.7(10) . . . . ?
P1 Ta1 O2 C2 18.6(11) . . . . ?
P2 Ta1 O2 C2 -6.4(15) . . . . ?
C21 C22 O3 Ta1 1(2) . . . . ?
C23 C22 O3 Ta1 178.5(10) . . . . ?
O5 Ta1 O3 C22 39.4(17) . . . . ?
O1 Ta1 O3 C22 -140.1(12) . . . . ?
O2 Ta1 O3 C22 -64.2(12) . . . . ?
O4 Ta1 O3 C22 144.5(12) . . . . ?
P1 Ta1 O3 C22 1.6(12) . . . . ?
P2 Ta1 O3 C22 75.8(12) . . . . ?
C35 C36 O4 Ta1 -7(2) . . . . ?
C37 C36 O4 Ta1 167.1(11) . . . . ?
O5 Ta1 O4 C36 81.7(15) . . . . ?
O1 Ta1 O4 C36 -179.1(15) . . . . ?
O3 Ta1 O4 C36 -76.4(15) . . . . ?
O2 Ta1 O4 C36 -175.5(13) . . . . ?
P1 Ta1 O4 C36 -14.4(17) . . . . ?
P2 Ta1 O4 C36 12.6(14) . . . . ?
C57 C56 O5 Ta1 160.5(12) . . . . ?
C55 C56 O5 Ta1 -14(2) . . . . ?
O1 Ta1 O5 C56 -128.1(12) . . . . ?
O3 Ta1 O5 C56 52.4(16) . . . . ?
O2 Ta1 O5 C56 157.5(12) . . . . ?
O4 Ta1 O5 C56 -50.5(12) . . . . ?
P1 Ta1 O5 C56 88.5(12) . . . . ?
P2 Ta1 O5 C56 14.3(11) . . . . ?
C14 C1 P1 C21 80.7(16) . . . . ?
C2 C1 P1 C21 -92.1(11) . . . . ?
C14 C1 P1 C15 -34.7(17) . . . . ?
C2 C1 P1 C15 152.5(11) . . . . ?
C14 C1 P1 Ta1 -176.0(14) . . . . ?
C2 C1 P1 Ta1 11.2(11) . . . . ?
C34 C21 P1 C1 -59.2(15) . . . . ?
C22 C21 P1 C1 111.0(12) . . . . ?
C34 C21 P1 C15 52.1(15) . . . . ?
C22 C21 P1 C15 -137.7(12) . . . . ?
C34 C21 P1 Ta1 -165.4(13) . . . . ?
C22 C21 P1 Ta1 4.8(11) . . . . ?
C20 C15 P1 C1 117.1(15) . . . . ?
C16 C15 P1 C1 -61.0(15) . . . . ?
C20 C15 P1 C21 -0.1(17) . . . . ?
C16 C15 P1 C21 -178.3(13) . . . . ?
C20 C15 P1 Ta1 -122.2(14) . . . . ?
C16 C15 P1 Ta1 59.7(17) . . . . ?
O5 Ta1 P1 C1 76.9(6) . . . . ?
O1 Ta1 P1 C1 -28.2(8) . . . . ?
O3 Ta1 P1 C1 -116.7(6) . . . . ?
O2 Ta1 P1 C1 -12.7(6) . . . . ?
O4 Ta1 P1 C1 176.9(6) . . . . ?
P2 Ta1 P1 C1 150.8(5) . . . . ?
O5 Ta1 P1 C21 -169.5(5) . . . . ?
O1 Ta1 P1 C21 85.4(7) . . . . ?
O3 Ta1 P1 C21 -3.1(5) . . . . ?
O2 Ta1 P1 C21 100.8(5) . . . . ?
O4 Ta1 P1 C21 -69.5(6) . . . . ?
P2 Ta1 P1 C21 -95.6(4) . . . . ?
O5 Ta1 P1 C15 -43.7(9) . . . . ?
O1 Ta1 P1 C15 -148.8(11) . . . . ?
O3 Ta1 P1 C15 122.7(9) . . . . ?
O2 Ta1 P1 C15 -133.4(10) . . . . ?
O4 Ta1 P1 C15 56.3(10) . . . . ?
P2 Ta1 P1 C15 30.1(9) . . . . ?
C68 C55 P2 C49 45.4(15) . . . . ?
C56 C55 P2 C49 -138.7(11) . . . . ?
C68 C55 P2 C35 -65.6(15) . . . . ?
C56 C55 P2 C35 110.3(13) . . . . ?
C68 C55 P2 Ta1 -168.9(13) . . . . ?
C56 C55 P2 Ta1 7.0(12) . . . . ?
C50 C49 P2 C55 -179.1(12) . . . . ?
C54 C49 P2 C55 1.9(14) . . . . ?
C50 C49 P2 C35 -65.8(13) . . . . ?
C54 C49 P2 C35 115.2(12) . . . . ?
C50 C49 P2 Ta1 55.0(14) . . . . ?
C54 C49 P2 Ta1 -124.0(11) . . . . ?
C48 C35 P2 C55 82.5(16) . . . . ?
C36 C35 P2 C55 -86.9(12) . . . . ?
C48 C35 P2 C49 -34.0(15) . . . . ?
C36 C35 P2 C49 156.5(11) . . . . ?
C48 C35 P2 Ta1 -176.8(13) . . . . ?
C36 C35 P2 Ta1 13.7(11) . . . . ?
O5 Ta1 P2 C55 -9.1(5) . . . . ?
O1 Ta1 P2 C55 77.6(8) . . . . ?
O3 Ta1 P2 C55 -175.4(5) . . . . ?
O2 Ta1 P2 C55 -77.2(7) . . . . ?
O4 Ta1 P2 C55 96.8(6) . . . . ?
P1 Ta1 P2 C55 -101.4(5) . . . . ?
O5 Ta1 P2 C49 121.3(7) . . . . ?
O1 Ta1 P2 C49 -152.1(9) . . . . ?
O3 Ta1 P2 C49 -45.1(7) . . . . ?
O2 Ta1 P2 C49 53.2(9) . . . . ?
O4 Ta1 P2 C49 -132.9(7) . . . . ?
P1 Ta1 P2 C49 29.0(7) . . . . ?
O5 Ta1 P2 C35 -117.2(6) . . . . ?
O1 Ta1 P2 C35 -30.5(8) . . . . ?
O3 Ta1 P2 C35 76.5(6) . . . . ?
O2 Ta1 P2 C35 174.7(7) . . . . ?
O4 Ta1 P2 C35 -11.4(6) . . . . ?
P1 Ta1 P2 C35 150.5(5) . . . . ?
