#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/41/7004132.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_7004132
loop_
_publ_author_name
'Jiang, Xin-Dong'
'Matsukawa, Shiro'
'Yamamoto, Yohsuke'
_publ_section_title
;
 Synthesis, structure and isomerization of arylphosphoranes with
 anti-apicophilic bonding modes using a novel bidentate ligand with two
 C2F5 groups
;
_journal_issue                   28
_journal_name_full               'Dalton Transactions'
_journal_page_first              3678
_journal_page_last               3687
_journal_paper_doi               10.1039/b802947d
_journal_year                    2008
_chemical_formula_sum            'C32 H20.5 F20 N0.5 O2 P'
_chemical_formula_weight         854.96
_chemical_melting_point          113
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.5780(10)
_cell_angle_beta                 97.1530(10)
_cell_angle_gamma                95.4110(10)
_cell_formula_units_Z            4
_cell_length_a                   11.11300(10)
_cell_length_b                   15.5850(3)
_cell_length_c                   19.1520(4)
_cell_measurement_temperature    200
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      1.1
_cell_volume                     3241.75(10)
_computing_cell_refinement       'HKL(Otwinowski, 1997)'
_computing_data_collection       'HKL(Otwinowski, 1997)'
_computing_data_reduction        'HKL(Otwinowski, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.894
_diffrn_measured_fraction_theta_max 0.894
_diffrn_measurement_device_type  'MacScience DIP2030 Imaging Plate'
_diffrn_measurement_method       ω
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0649
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13990
_diffrn_reflns_theta_full        28.00
_diffrn_reflns_theta_max         28.00
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    0.234
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1708
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.437
_refine_diff_density_min         -0.866
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1007
_refine_ls_number_reflns         13990
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0705
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1244P)²+5.7201P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2019
_refine_ls_wR_factor_ref         0.2089
_reflns_number_gt                12895
_reflns_number_total             13990
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802947d.txt
_cod_data_source_block           compound12e
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C32 H20.50 F20 N0.50 O2 P'
_cod_database_code               7004132
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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.3398(2) 0.22136(18) 0.25593(13) 0.0225(5) Uani 1 1 d . . .
C2 C 0.3696(3) 0.1772(2) 0.19296(14) 0.0287(6) Uani 1 1 d . . .
H2A H 0.3307 0.1204 0.1744 0.034 Uiso 1 1 calc R . .
C3 C 0.4568(3) 0.2174(2) 0.15787(15) 0.0357(7) Uani 1 1 d . . .
H3A H 0.4790 0.1873 0.1158 0.043 Uiso 1 1 calc R . .
C4 C 0.5115(3) 0.3008(2) 0.18400(17) 0.0364(7) Uani 1 1 d . . .
H4A H 0.5689 0.3281 0.1587 0.044 Uiso 1 1 calc R . .
C5 C 0.4838(3) 0.3454(2) 0.24660(16) 0.0324(6) Uani 1 1 d . . .
H5A H 0.5228 0.4022 0.2649 0.039 Uiso 1 1 calc R . .
C6 C 0.3974(2) 0.30465(19) 0.28198(14) 0.0243(5) Uani 1 1 d . . .
C7 C 0.3584(3) 0.34070(18) 0.35249(14) 0.0242(5) Uani 1 1 d . . .
C8 C 0.3215(3) 0.4344(2) 0.35608(18) 0.0365(7) Uani 1 1 d . . .
C9 C 0.2111(4) 0.4519(2) 0.3081(2) 0.0471(9) Uani 1 1 d . . .
C10 C 0.4688(3) 0.3353(2) 0.41163(16) 0.0339(7) Uani 1 1 d . . .
C11 C 0.4543(4) 0.3440(3) 0.49120(19) 0.0499(9) Uani 1 1 d . . .
C12 C 0.1451(3) 0.08716(17) 0.23994(13) 0.0227(5) Uani 1 1 d . . .
C13 C 0.1870(3) 0.0056(2) 0.22374(17) 0.0332(6) Uani 1 1 d . . .
H13A H 0.2623 -0.0060 0.2479 0.040 Uiso 1 1 calc R . .
C14 C 0.1192(4) -0.0580(2) 0.17277(19) 0.0413(8) Uani 1 1 d . . .
H14A H 0.1487 -0.1128 0.1623 0.050 Uiso 1 1 calc R . .
C15 C 0.0090(4) -0.0426(2) 0.13688(19) 0.0437(8) Uani 1 1 d . . .
H15A H -0.0357 -0.0862 0.1013 0.052 Uiso 1 1 calc R . .
C16 C -0.0358(3) 0.0363(2) 0.15300(17) 0.0368(7) Uani 1 1 d . . .
H16A H -0.1120 0.0473 0.1295 0.044 Uiso 1 1 calc R . .
C17 C 0.0332(3) 0.09956(18) 0.20446(14) 0.0251(5) Uani 1 1 d . . .
C18 C -0.0067(2) 0.18639(18) 0.23254(14) 0.0236(5) Uani 1 1 d . . .
C19 C -0.0376(3) 0.2452(2) 0.17490(16) 0.0325(6) Uani 1 1 d . . .
C20 C 0.0480(3) 0.2529(2) 0.11766(17) 0.0387(7) Uani 1 1 d . . .
C21 C -0.1188(3) 0.1686(2) 0.27310(16) 0.0307(6) Uani 1 1 d . . .
C22 C -0.1804(3) 0.2450(3) 0.30890(19) 0.0403(7) Uani 1 1 d . . .
C23 C 0.2366(2) 0.12776(16) 0.38246(13) 0.0203(5) Uani 1 1 d . . .
C24 C 0.3238(3) 0.06773(18) 0.38790(14) 0.0249(5) Uani 1 1 d . . .
C25 C 0.3228(3) 0.01539(19) 0.44160(15) 0.0305(6) Uani 1 1 d . . .
H25A H 0.3806 -0.0256 0.4446 0.037 Uiso 1 1 calc R . .
C26 C 0.2414(3) 0.0206(2) 0.49060(15) 0.0315(6) Uani 1 1 d . . .
C27 C 0.1639(3) 0.08463(19) 0.48796(14) 0.0288(6) Uani 1 1 d . . .
H27A H 0.1095 0.0909 0.5224 0.035 Uiso 1 1 calc R . .
C28 C 0.1622(2) 0.14052(17) 0.43659(13) 0.0221(5) Uani 1 1 d . . .
C29 C 0.4273(3) 0.0606(2) 0.34411(18) 0.0366(7) Uani 1 1 d . . .
H29A H 0.5027 0.0912 0.3719 0.055 Uiso 1 1 calc R . .
H29B H 0.4086 0.0869 0.3009 0.055 Uiso 1 1 calc R . .
H29C H 0.4378 -0.0009 0.3311 0.055 Uiso 1 1 calc R . .
C30 C 0.2398(4) -0.0399(3) 0.5464(2) 0.0497(9) Uani 1 1 d . . .
H30A H 0.2617 -0.0967 0.5269 0.075 Uiso 1 1 calc R . .
H30B H 0.1579 -0.0471 0.5603 0.075 Uiso 1 1 calc R . .
H30C H 0.2988 -0.0149 0.5882 0.075 Uiso 1 1 calc R . .
C31 C 0.0852(3) 0.2145(2) 0.44811(15) 0.0294(6) Uani 1 1 d . . .
H31A H 0.0056 0.1921 0.4594 0.044 Uiso 1 1 calc R . .
H31B H 0.0736 0.2417 0.4048 0.044 Uiso 1 1 calc R . .
H31C H 0.1264 0.2579 0.4877 0.044 Uiso 1 1 calc R . .
P1 P 0.21672(6) 0.18644(4) 0.30447(3) 0.01737(14) Uani 1 1 d . . .
O1 O 0.26006(17) 0.28526(12) 0.36393(9) 0.0217(4) Uani 1 1 d . . .
O2 O 0.08968(16) 0.23157(11) 0.28368(9) 0.0196(3) Uani 1 1 d . . .
F1 F 0.4158(2) 0.49096(13) 0.34802(14) 0.0506(6) Uani 1 1 d . . .
F2 F 0.2961(3) 0.46222(18) 0.42405(13) 0.0668(7) Uani 1 1 d . . .
F3 F 0.1082(2) 0.41830(15) 0.33044(17) 0.0622(7) Uani 1 1 d . . .
F4 F 0.2170(3) 0.41959(18) 0.24310(15) 0.0662(7) Uani 1 1 d . . .
F5 F 0.2062(3) 0.53775(16) 0.31269(18) 0.0705(8) Uani 1 1 d . . .
F6 F 0.5647(2) 0.3917(2) 0.40560(14) 0.0667(8) Uani 1 1 d . . .
F7 F 0.5016(2) 0.25278(17) 0.39864(12) 0.0533(6) Uani 1 1 d . . .
F8 F 0.3718(3) 0.2884(3) 0.50379(15) 0.1149(18) Uani 1 1 d . . .
F9 F 0.4367(6) 0.4236(3) 0.51701(19) 0.133(2) Uani 1 1 d . . .
F10 F 0.5586(3) 0.3316(2) 0.52741(14) 0.0771(9) Uani 1 1 d . . .
F11 F -0.0435(2) 0.32695(13) 0.20658(11) 0.0428(5) Uani 1 1 d . . .
F12 F -0.14934(19) 0.21480(17) 0.13789(11) 0.0488(5) Uani 1 1 d . . .
F13 F 0.0371(3) 0.18007(18) 0.07231(13) 0.0639(7) Uani 1 1 d . . .
F14 F 0.1630(2) 0.27184(18) 0.14649(12) 0.0526(6) Uani 1 1 d . . .
F15 F 0.0173(2) 0.31529(17) 0.08076(12) 0.0551(6) Uani 1 1 d . . .
F16 F -0.08027(17) 0.12337(12) 0.32571(10) 0.0338(4) Uani 1 1 d . . .
F17 F -0.20986(18) 0.11612(16) 0.23010(12) 0.0480(5) Uani 1 1 d . . .
F18 F -0.2468(2) 0.2805(2) 0.26065(14) 0.0651(8) Uani 1 1 d . . .
F19 F -0.10073(19) 0.30644(14) 0.34726(12) 0.0439(5) Uani 1 1 d . . .
F20 F -0.2542(3) 0.21353(19) 0.35099(16) 0.0657(7) Uani 1 1 d . . .
C32 C -0.4416(2) -0.22558(16) 0.25863(13) 0.0193(5) Uani 1 1 d . . .
C33 C -0.4103(3) -0.18437(17) 0.32899(13) 0.0241(5) Uani 1 1 d . . .
H33A H -0.3289 -0.1593 0.3459 0.029 Uiso 1 1 calc R . .
C34 C -0.4991(3) -0.1804(2) 0.37379(15) 0.0320(6) Uani 1 1 d . . .
H34A H -0.4789 -0.1515 0.4213 0.038 Uiso 1 1 calc R . .
C35 C -0.6170(3) -0.2184(2) 0.34976(18) 0.0395(7) Uani 1 1 d . . .
H35A H -0.6772 -0.2150 0.3809 0.047 Uiso 1 1 calc R . .
C36 C -0.6485(3) -0.2615(2) 0.28087(18) 0.0354(7) Uani 1 1 d . . .
H36A H -0.7293 -0.2884 0.2649 0.043 Uiso 1 1 calc R . .
C37 C -0.5603(2) -0.26467(16) 0.23553(14) 0.0223(5) Uani 1 1 d . . .
C38 C -0.5753(2) -0.31167(16) 0.15902(14) 0.0212(5) Uani 1 1 d . . .
C39 C -0.6162(3) -0.41053(18) 0.15878(16) 0.0283(6) Uani 1 1 d . . .
C40 C -0.5708(4) -0.4757(2) 0.1015(2) 0.0420(8) Uani 1 1 d . . .
C41 C -0.6697(3) -0.26532(18) 0.11353(17) 0.0292(6) Uani 1 1 d . . .
C42 C -0.7045(4) -0.2913(2) 0.0331(2) 0.0474(9) Uani 1 1 d . . .
C43 C -0.1913(2) -0.19063(16) 0.24983(12) 0.0192(5) Uani 1 1 d . . .
C44 C -0.1491(3) -0.10389(17) 0.27715(14) 0.0254(5) Uani 1 1 d . . .
H44A H -0.1953 -0.0587 0.2643 0.030 Uiso 1 1 calc R . .
C45 C -0.0402(3) -0.0833(2) 0.32297(16) 0.0310(6) Uani 1 1 d . . .
H45A H -0.0130 -0.0241 0.3416 0.037 Uiso 1 1 calc R . .
C46 C 0.0295(3) -0.1483(2) 0.34182(17) 0.0350(7) Uani 1 1 d . . .
H46A H 0.1028 -0.1338 0.3743 0.042 Uiso 1 1 calc R . .
C47 C -0.0082(3) -0.2345(2) 0.31306(16) 0.0314(6) Uani 1 1 d . . .
H47A H 0.0396 -0.2795 0.3246 0.038 Uiso 1 1 calc R . .
C48 C -0.1178(2) -0.25390(17) 0.26685(14) 0.0228(5) Uani 1 1 d . . .
C49 C -0.1658(2) -0.34168(17) 0.22425(14) 0.0238(5) Uani 1 1 d . . .
C50 C -0.1836(3) -0.4171(2) 0.26817(18) 0.0367(7) Uani 1 1 d . . .
C51 C -0.2499(3) -0.4022(2) 0.3331(2) 0.0419(8) Uani 1 1 d . . .
C52 C -0.0727(3) -0.3622(2) 0.16868(19) 0.0375(7) Uani 1 1 d . . .
C53 C -0.0987(4) -0.4468(3) 0.1139(2) 0.0505(10) Uani 1 1 d . . .
C54 C -0.3356(2) -0.16103(15) 0.12730(12) 0.0185(5) Uani 1 1 d . . .
C55 C -0.3031(3) -0.18707(17) 0.05964(13) 0.0234(5) Uani 1 1 d . . .
C56 C -0.2908(3) -0.12503(19) 0.01356(14) 0.0279(6) Uani 1 1 d . . .
H56A H -0.2638 -0.1419 -0.0309 0.034 Uiso 1 1 calc R . .
C57 C -0.3164(3) -0.04050(19) 0.03011(15) 0.0294(6) Uani 1 1 d . . .
C58 C -0.3576(3) -0.01792(17) 0.09471(14) 0.0254(5) Uani 1 1 d . . .
H58A H -0.3798 0.0392 0.1059 0.030 Uiso 1 1 calc R . .
C59 C -0.3679(2) -0.07558(16) 0.14399(13) 0.0195(5) Uani 1 1 d . . .
C60 C -0.2878(4) -0.2796(2) 0.02930(16) 0.0374(7) Uani 1 1 d . . .
H60A H -0.3356 -0.2946 -0.0181 0.056 Uiso 1 1 calc R . .
H60B H -0.3164 -0.3197 0.0606 0.056 Uiso 1 1 calc R . .
H60C H -0.2014 -0.2844 0.0257 0.056 Uiso 1 1 calc R . .
C61 C -0.3017(4) 0.0252(3) -0.0204(2) 0.0500(10) Uani 1 1 d . . .
H61A H -0.2512 0.0039 -0.0560 0.075 Uiso 1 1 calc R . .
H61B H -0.2621 0.0808 0.0063 0.075 Uiso 1 1 calc R . .
H61C H -0.3821 0.0336 -0.0442 0.075 Uiso 1 1 calc R . .
C62 C -0.4241(3) -0.04201(17) 0.20864(15) 0.0251(5) Uani 1 1 d . . .
H62A H -0.4307 0.0204 0.2097 0.038 Uiso 1 1 calc R . .
H62B H -0.3725 -0.0514 0.2517 0.038 Uiso 1 1 calc R . .
H62C H -0.5056 -0.0733 0.2065 0.038 Uiso 1 1 calc R . .
P2 P -0.33870(6) -0.23890(4) 0.19229(3) 0.01570(14) Uani 1 1 d . . .
O3 O -0.46389(17) -0.30150(12) 0.13461(9) 0.0211(4) Uani 1 1 d . . .
O4 O -0.27933(16) -0.33382(11) 0.18466(9) 0.0196(3) Uani 1 1 d . . .
F21 F -0.73977(18) -0.42630(13) 0.15147(14) 0.0459(5) Uani 1 1 d . . .
F22 F -0.5715(2) -0.43395(13) 0.22099(11) 0.0459(5) Uani 1 1 d . . .
F23 F -0.4564(2) -0.48743(15) 0.12086(15) 0.0557(6) Uani 1 1 d . . .
F24 F -0.5798(3) -0.45079(17) 0.03929(12) 0.0604(7) Uani 1 1 d . . .
F25 F -0.6379(3) -0.55297(15) 0.09827(18) 0.0719(9) Uani 1 1 d . . .
F26 F -0.62303(18) -0.18038(11) 0.12139(11) 0.0376(4) Uani 1 1 d . . .
F27 F -0.77659(18) -0.26538(14) 0.14088(13) 0.0459(5) Uani 1 1 d . . .
F28 F -0.7711(2) -0.36926(15) 0.01823(13) 0.0571(6) Uani 1 1 d . . .
F29 F -0.6109(3) -0.2913(2) -0.00079(12) 0.0694(8) Uani 1 1 d . . .
F30 F -0.7766(3) -0.23530(17) 0.00892(16) 0.0725(9) Uani 1 1 d . . .
F31 F -0.0718(2) -0.43893(17) 0.29360(15) 0.0567(6) Uani 1 1 d . . .
F32 F -0.2464(2) -0.48752(13) 0.22658(13) 0.0519(6) Uani 1 1 d . . .
F33 F -0.3599(3) -0.3829(2) 0.31565(14) 0.0641(7) Uani 1 1 d . . .
F34 F -0.1925(3) -0.3395(2) 0.38144(14) 0.0859(11) Uani 1 1 d . . .
F35 F -0.2559(3) -0.47518(18) 0.36343(16) 0.0688(8) Uani 1 1 d . . .
F36 F 0.0394(2) -0.36333(17) 0.20345(14) 0.0540(6) Uani 1 1 d . . .
F37 F -0.0678(2) -0.29542(14) 0.13157(11) 0.0439(5) Uani 1 1 d . . .
F38 F -0.2123(2) -0.46011(14) 0.08261(12) 0.0502(6) Uani 1 1 d . . .
F39 F -0.0711(3) -0.51471(18) 0.14326(17) 0.0789(9) Uani 1 1 d . . .
F40 F -0.0262(3) -0.4394(2) 0.06417(17) 0.0831(10) Uani 1 1 d . . .
C63 C 0.9012(13) 0.4139(7) 0.5068(6) 0.153(4) Uani 1 1 d . . .
H63A H 0.9557 0.4472 0.5475 0.229 Uiso 1 1 calc R . .
H63B H 0.8328 0.4467 0.4941 0.229 Uiso 1 1 calc R . .
H63C H 0.9464 0.4037 0.4663 0.229 Uiso 1 1 calc R . .
C64 C 0.8556(7) 0.3321(6) 0.5252(4) 0.093(2) Uani 1 1 d . . .
N1 N 0.8238(7) 0.2657(6) 0.5393(4) 0.114(2) 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'
F F 0.0171 0.0103 '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'
N N 0.0061 0.0033 '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
C6 C1 C2 119.4(3) . . ?
C6 C1 P1 113.9(2) . . ?
C2 C1 P1 126.3(2) . . ?
C3 C2 C1 119.3(3) . . ?
C3 C2 H2A 120.4 . . ?
C1 C2 H2A 120.4 . . ?
C4 C3 C2 120.4(3) . . ?
C4 C3 H3A 119.8 . . ?
C2 C3 H3A 119.8 . . ?
C3 C4 C5 121.1(3) . . ?
C3 C4 H4A 119.4 . . ?
C5 C4 H4A 119.4 . . ?
C4 C5 C6 118.3(3) . . ?
C4 C5 H5A 120.8 . . ?
C6 C5 H5A 120.8 . . ?
C1 C6 C5 121.5(3) . . ?
C1 C6 C7 112.1(2) . . ?
C5 C6 C7 126.4(3) . . ?
O1 C7 C6 107.6(2) . . ?
O1 C7 C8 108.9(2) . . ?
C6 C7 C8 114.5(2) . . ?
O1 C7 C10 108.0(2) . . ?
C6 C7 C10 106.1(2) . . ?
C8 C7 C10 111.3(2) . . ?
F1 C8 F2 104.0(3) . . ?
F1 C8 C9 107.9(3) . . ?
F2 C8 C9 103.9(3) . . ?
F1 C8 C7 110.9(3) . . ?
F2 C8 C7 109.2(3) . . ?
C9 C8 C7 119.6(3) . . ?
F4 C9 F5 109.6(3) . . ?
F4 C9 F3 111.2(4) . . ?
F5 C9 F3 106.4(3) . . ?
F4 C9 C8 110.1(4) . . ?
F5 C9 C8 109.5(3) . . ?
F3 C9 C8 109.9(3) . . ?
F6 C10 F7 108.0(3) . . ?
F6 C10 C11 107.1(3) . . ?
F7 C10 C11 102.2(3) . . ?
F6 C10 C7 110.5(2) . . ?
F7 C10 C7 106.1(2) . . ?
C11 C10 C7 121.9(3) . . ?
F8 C11 F9 111.3(5) . . ?
F8 C11 F10 108.1(4) . . ?
F9 C11 F10 104.0(4) . . ?
F8 C11 C10 112.4(3) . . ?
F9 C11 C10 112.1(4) . . ?
F10 C11 C10 108.5(4) . . ?
C17 C12 C13 117.1(3) . . ?
C17 C12 P1 112.4(2) . . ?
C13 C12 P1 130.4(2) . . ?
C14 C13 C12 120.5(3) . . ?
C14 C13 H13A 119.7 . . ?
C12 C13 H13A 119.7 . . ?
C15 C14 C13 120.8(3) . . ?
C15 C14 H14A 119.6 . . ?
C13 C14 H14A 119.6 . . ?
C16 C15 C14 119.8(3) . . ?
C16 C15 H15A 120.1 . . ?
C14 C15 H15A 120.1 . . ?
C15 C16 C17 118.7(3) . . ?
C15 C16 H16A 120.7 . . ?
C17 C16 H16A 120.7 . . ?
C12 C17 C16 123.0(3) . . ?
C12 C17 C18 111.5(2) . . ?
C16 C17 C18 125.4(3) . . ?
O2 C18 C17 107.7(2) . . ?
O2 C18 C19 108.5(2) . . ?
C17 C18 C19 114.5(2) . . ?
O2 C18 C21 106.8(2) . . ?
C17 C18 C21 108.4(2) . . ?
C19 C18 C21 110.6(2) . . ?
F11 C19 F12 107.8(3) . . ?
F11 C19 C20 106.6(3) . . ?
F12 C19 C20 105.1(2) . . ?
F11 C19 C18 109.4(2) . . ?
F12 C19 C18 108.8(3) . . ?
C20 C19 C18 118.6(3) . . ?
F14 C20 F15 108.5(3) . . ?
F14 C20 F13 109.0(3) . . ?
F15 C20 F13 107.2(3) . . ?
F14 C20 C19 111.5(3) . . ?
F15 C20 C19 109.2(3) . . ?
F13 C20 C19 111.2(3) . . ?
F17 C21 F16 106.4(3) . . ?
F17 C21 C22 105.6(3) . . ?
F16 C21 C22 106.0(3) . . ?
F17 C21 C18 110.7(2) . . ?
F16 C21 C18 106.3(2) . . ?
C22 C21 C18 120.9(3) . . ?
F19 C22 F18 108.3(3) . . ?
F19 C22 F20 108.6(3) . . ?
F18 C22 F20 108.0(3) . . ?
F19 C22 C21 112.6(3) . . ?
F18 C22 C21 110.8(3) . . ?
F20 C22 C21 108.4(3) . . ?
C28 C23 C24 118.8(2) . . ?
C28 C23 P1 120.35(19) . . ?
C24 C23 P1 120.8(2) . . ?
C25 C24 C23 118.7(3) . . ?
C25 C24 C29 115.9(2) . . ?
C23 C24 C29 125.1(2) . . ?
C26 C25 C24 122.9(3) . . ?
C26 C25 H25A 118.6 . . ?
C24 C25 H25A 118.6 . . ?
C27 C26 C25 117.4(3) . . ?
C27 C26 C30 121.3(3) . . ?
C25 C26 C30 121.3(3) . . ?
C26 C27 C28 122.5(3) . . ?
C26 C27 H27A 118.7 . . ?
C28 C27 H27A 118.7 . . ?
C27 C28 C23 119.0(2) . . ?
C27 C28 C31 115.1(2) . . ?
C23 C28 C31 125.7(2) . . ?
C24 C29 H29A 109.5 . . ?
C24 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C24 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C26 C30 H30A 109.5 . . ?
C26 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C26 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C28 C31 H31A 109.5 . . ?
C28 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C28 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
O2 P1 O1 83.75(9) . . ?
O2 P1 C1 112.78(11) . . ?
O1 P1 C1 86.76(11) . . ?
O2 P1 C23 121.26(11) . . ?
O1 P1 C23 87.89(10) . . ?
C1 P1 C23 124.64(12) . . ?
O2 P1 C12 87.23(10) . . ?
O1 P1 C12 170.73(11) . . ?
C1 P1 C12 98.73(12) . . ?
C23 P1 C12 95.00(11) . . ?
C7 O1 P1 118.68(17) . . ?
C18 O2 P1 120.90(16) . . ?
C37 C32 C33 119.5(2) . . ?
C37 C32 P2 114.26(18) . . ?
C33 C32 P2 126.2(2) . . ?
C34 C33 C32 119.4(3) . . ?
C34 C33 H33A 120.3 . . ?
C32 C33 H33A 120.3 . . ?
C35 C34 C33 120.4(3) . . ?
C35 C34 H34A 119.8 . . ?
C33 C34 H34A 119.8 . . ?
C34 C35 C36 120.8(3) . . ?
C34 C35 H35A 119.6 . . ?
C36 C35 H35A 119.6 . . ?
C35 C36 C37 119.1(3) . . ?
C35 C36 H36A 120.5 . . ?
C37 C36 H36A 120.5 . . ?
C36 C37 C32 120.8(3) . . ?
C36 C37 C38 127.0(3) . . ?
C32 C37 C38 112.1(2) . . ?
O3 C38 C37 108.0(2) . . ?
O3 C38 C39 110.0(2) . . ?
C37 C38 C39 108.9(2) . . ?
O3 C38 C41 109.1(2) . . ?
C37 C38 C41 107.1(2) . . ?
C39 C38 C41 113.5(2) . . ?
F22 C39 F21 107.6(3) . . ?
F22 C39 C40 104.4(2) . . ?
F21 C39 C40 107.7(2) . . ?
F22 C39 C38 109.4(2) . . ?
F21 C39 C38 110.9(2) . . ?
C40 C39 C38 116.4(3) . . ?
F24 C40 F23 108.6(4) . . ?
F24 C40 F25 110.2(3) . . ?
F23 C40 F25 107.0(3) . . ?
F24 C40 C39 113.1(3) . . ?
F23 C40 C39 110.7(3) . . ?
F25 C40 C39 107.2(3) . . ?
F27 C41 F26 105.5(2) . . ?
F27 C41 C42 105.9(3) . . ?
F26 C41 C42 104.4(3) . . ?
F27 C41 C38 110.9(2) . . ?
F26 C41 C38 106.1(2) . . ?
C42 C41 C38 122.7(3) . . ?
F29 C42 F30 108.6(4) . . ?
F29 C42 F28 110.1(4) . . ?
F30 C42 F28 105.6(3) . . ?
F29 C42 C41 112.9(3) . . ?
F30 C42 C41 108.5(3) . . ?
F28 C42 C41 110.8(3) . . ?
C48 C43 C44 117.8(2) . . ?
C48 C43 P2 112.08(18) . . ?
C44 C43 P2 130.1(2) . . ?
C45 C44 C43 120.5(3) . . ?
C45 C44 H44A 119.8 . . ?
C43 C44 H44A 119.8 . . ?
C44 C45 C46 120.7(3) . . ?
C44 C45 H45A 119.7 . . ?
C46 C45 H45A 119.7 . . ?
C47 C46 C45 119.8(3) . . ?
C47 C46 H46A 120.1 . . ?
C45 C46 H46A 120.1 . . ?
C46 C47 C48 118.6(3) . . ?
C46 C47 H47A 120.7 . . ?
C48 C47 H47A 120.7 . . ?
C43 C48 C47 122.5(3) . . ?
C43 C48 C49 111.3(2) . . ?
C47 C48 C49 125.9(3) . . ?
O4 C49 C48 108.1(2) . . ?
O4 C49 C50 108.3(2) . . ?
C48 C49 C50 115.5(2) . . ?
O4 C49 C52 107.3(2) . . ?
C48 C49 C52 106.4(2) . . ?
C50 C49 C52 110.9(2) . . ?
F32 C50 F31 108.2(3) . . ?
F32 C50 C51 105.6(3) . . ?
F31 C50 C51 105.2(3) . . ?
F32 C50 C49 110.0(3) . . ?
F31 C50 C49 109.1(3) . . ?
C51 C50 C49 118.3(3) . . ?
F33 C51 F34 108.0(4) . . ?
F33 C51 F35 109.1(3) . . ?
F34 C51 F35 107.0(3) . . ?
F33 C51 C50 111.4(3) . . ?
F34 C51 C50 112.4(3) . . ?
F35 C51 C50 108.9(3) . . ?
F37 C52 F36 107.3(3) . . ?
F37 C52 C53 106.9(3) . . ?
F36 C52 C53 106.2(3) . . ?
F37 C52 C49 106.2(2) . . ?
F36 C52 C49 109.9(3) . . ?
C53 C52 C49 119.6(3) . . ?
F39 C53 F38 109.8(4) . . ?
F39 C53 F40 106.5(3) . . ?
F38 C53 F40 108.3(4) . . ?
F39 C53 C52 111.3(3) . . ?
F38 C53 C52 112.6(3) . . ?
F40 C53 C52 108.0(4) . . ?
C55 C54 C59 119.1(2) . . ?
C55 C54 P2 119.82(19) . . ?
C59 C54 P2 121.06(18) . . ?
C56 C55 C54 118.9(2) . . ?
C56 C55 C60 115.7(2) . . ?
C54 C55 C60 125.3(2) . . ?
C57 C56 C55 122.6(3) . . ?
C57 C56 H56A 118.7 . . ?
C55 C56 H56A 118.7 . . ?
C56 C57 C58 117.6(2) . . ?
C56 C57 C61 121.5(3) . . ?
C58 C57 C61 120.9(3) . . ?
C57 C58 C59 122.7(3) . . ?
C57 C58 H58A 118.7 . . ?
C59 C58 H58A 118.7 . . ?
C58 C59 C54 118.8(2) . . ?
C58 C59 C62 115.2(2) . . ?
C54 C59 C62 125.8(2) . . ?
C55 C60 H60A 109.5 . . ?
C55 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C55 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C57 C61 H61A 109.5 . . ?
C57 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C57 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C59 C62 H62A 109.5 . . ?
C59 C62 H62B 109.5 . . ?
H62A C62 H62B 109.5 . . ?
C59 C62 H62C 109.5 . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
O4 P2 O3 82.60(9) . . ?
O4 P2 C32 115.18(10) . . ?
O3 P2 C32 87.12(10) . . ?
O4 P2 C54 125.08(11) . . ?
O3 P2 C54 88.06(10) . . ?
C32 P2 C54 118.23(11) . . ?
O4 P2 C43 87.14(10) . . ?
O3 P2 C43 169.61(10) . . ?
C32 P2 C43 98.81(11) . . ?
C54 P2 C43 96.52(11) . . ?
C38 O3 P2 118.47(16) . . ?
C49 O4 P2 120.32(15) . . ?
C64 C63 H63A 109.5 . . ?
C64 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C64 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
N1 C64 C63 177.1(9) . . ?
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 C6 1.391(4) . ?
C1 C2 1.400(4) . ?
C1 P1 1.828(3) . ?
C2 C3 1.394(4) . ?
C2 H2A 0.9500 . ?
C3 C4 1.384(5) . ?
C3 H3A 0.9500 . ?
C4 C5 1.388(5) . ?
C4 H4A 0.9500 . ?
C5 C6 1.395(4) . ?
C5 H5A 0.9500 . ?
C6 C7 1.523(4) . ?
C7 O1 1.386(3) . ?
C7 C8 1.549(4) . ?
C7 C10 1.579(4) . ?
C8 F1 1.342(4) . ?
C8 F2 1.389(4) . ?
C8 C9 1.506(5) . ?
C9 F4 1.292(5) . ?
C9 F5 1.337(4) . ?
C9 F3 1.353(5) . ?
C10 F6 1.342(4) . ?
C10 F7 1.370(4) . ?
C10 C11 1.542(5) . ?
C11 F8 1.270(5) . ?
C11 F9 1.314(6) . ?
C11 F10 1.319(5) . ?
C12 C17 1.383(4) . ?
C12 C13 1.404(4) . ?
C12 P1 1.890(3) . ?
C13 C14 1.387(4) . ?
C13 H13A 0.9500 . ?
C14 C15 1.386(6) . ?
C14 H14A 0.9500 . ?
C15 C16 1.381(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.394(4) . ?
C16 H16A 0.9500 . ?
C17 C18 1.516(4) . ?
C18 O2 1.420(3) . ?
C18 C19 1.552(4) . ?
C18 C21 1.569(4) . ?
C19 F11 1.348(4) . ?
C19 F12 1.360(3) . ?
C19 C20 1.547(5) . ?
C20 F14 1.318(4) . ?
C20 F15 1.321(4) . ?
C20 F13 1.321(5) . ?
C21 F17 1.353(3) . ?
C21 F16 1.354(4) . ?
C21 C22 1.553(5) . ?
C22 F19 1.317(4) . ?
C22 F18 1.322(4) . ?
C22 F20 1.325(5) . ?
C23 C28 1.410(4) . ?
C23 C24 1.413(4) . ?
C23 P1 1.853(3) . ?
C24 C25 1.395(4) . ?
C24 C29 1.509(4) . ?
C25 C26 1.382(5) . ?
C25 H25A 0.9500 . ?
C26 C27 1.380(4) . ?
C26 C30 1.517(4) . ?
C27 C28 1.397(4) . ?
C27 H27A 0.9500 . ?
C28 C31 1.510(4) . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
P1 O2 1.6636(18) . ?
P1 O1 1.7781(19) . ?
C32 C37 1.392(4) . ?
C32 C33 1.401(3) . ?
C32 P2 1.817(3) . ?
C33 C34 1.387(4) . ?
C33 H33A 0.9500 . ?
C34 C35 1.382(5) . ?
C34 H34A 0.9500 . ?
C35 C36 1.386(5) . ?
C35 H35A 0.9500 . ?
C36 C37 1.388(4) . ?
C36 H36A 0.9500 . ?
C37 C38 1.531(4) . ?
C38 O3 1.379(3) . ?
C38 C39 1.564(4) . ?
C38 C41 1.570(4) . ?
C39 F22 1.342(3) . ?
C39 F21 1.358(4) . ?
C39 C40 1.560(5) . ?
C40 F24 1.295(5) . ?
C40 F23 1.316(4) . ?
C40 F25 1.345(4) . ?
C41 F27 1.357(4) . ?
C41 F26 1.357(3) . ?
C41 C42 1.532(5) . ?
C42 F29 1.293(5) . ?
C42 F30 1.328(4) . ?
C42 F28 1.338(4) . ?
C43 C48 1.384(4) . ?
C43 C44 1.398(4) . ?
C43 P2 1.887(3) . ?
C44 C45 1.388(4) . ?
C44 H44A 0.9500 . ?
C45 C46 1.390(5) . ?
C45 H45A 0.9500 . ?
C46 C47 1.388(4) . ?
C46 H46A 0.9500 . ?
C47 C48 1.397(4) . ?
C47 H47A 0.9500 . ?
C48 C49 1.510(4) . ?
C49 O4 1.414(3) . ?
C49 C50 1.545(4) . ?
C49 C52 1.597(4) . ?
C50 F32 1.347(4) . ?
C50 F31 1.367(4) . ?
C50 C51 1.525(5) . ?
C51 F33 1.301(4) . ?
C51 F34 1.310(5) . ?
C51 F35 1.345(4) . ?
C52 F37 1.336(4) . ?
C52 F36 1.341(4) . ?
C52 C53 1.553(5) . ?
C53 F39 1.307(5) . ?
C53 F38 1.314(5) . ?
C53 F40 1.331(5) . ?
C54 C55 1.407(3) . ?
C54 C59 1.418(3) . ?
C54 P2 1.850(2) . ?
C55 C56 1.401(4) . ?
C55 C60 1.515(4) . ?
C56 C57 1.378(4) . ?
C56 H56A 0.9500 . ?
C57 C58 1.386(4) . ?
C57 C61 1.510(4) . ?
C58 C59 1.394(3) . ?
C58 H58A 0.9500 . ?
C59 C62 1.510(4) . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 H62A 0.9800 . ?
C62 H62B 0.9800 . ?
C62 H62C 0.9800 . ?
P2 O4 1.6722(18) . ?
P2 O3 1.7845(18) . ?
C63 C64 1.431(13) . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 N1 1.138(10) . ?
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
C6 C1 C2 C3 0.4(4) . . . . ?
P1 C1 C2 C3 172.4(2) . . . . ?
C1 C2 C3 C4 -1.5(4) . . . . ?
C2 C3 C4 C5 2.0(5) . . . . ?
C3 C4 C5 C6 -1.3(5) . . . . ?
C2 C1 C6 C5 0.3(4) . . . . ?
P1 C1 C6 C5 -172.7(2) . . . . ?
C2 C1 C6 C7 -177.2(2) . . . . ?
P1 C1 C6 C7 9.8(3) . . . . ?
C4 C5 C6 C1 0.2(4) . . . . ?
C4 C5 C6 C7 177.3(3) . . . . ?
C1 C6 C7 O1 -10.3(3) . . . . ?
C5 C6 C7 O1 172.4(3) . . . . ?
C1 C6 C7 C8 -131.6(3) . . . . ?
C5 C6 C7 C8 51.1(4) . . . . ?
C1 C6 C7 C10 105.2(3) . . . . ?
C5 C6 C7 C10 -72.2(3) . . . . ?
O1 C7 C8 F1 177.6(2) . . . . ?
C6 C7 C8 F1 -61.8(3) . . . . ?
C10 C7 C8 F1 58.6(3) . . . . ?
O1 C7 C8 F2 63.5(3) . . . . ?
C6 C7 C8 F2 -175.9(3) . . . . ?
C10 C7 C8 F2 -55.5(4) . . . . ?
O1 C7 C8 C9 -55.9(4) . . . . ?
C6 C7 C8 C9 64.7(4) . . . . ?
C10 C7 C8 C9 -174.9(3) . . . . ?
F1 C8 C9 F4 77.2(4) . . . . ?
F2 C8 C9 F4 -172.7(3) . . . . ?
C7 C8 C9 F4 -50.7(5) . . . . ?
F1 C8 C9 F5 -43.4(4) . . . . ?
F2 C8 C9 F5 66.6(4) . . . . ?
C7 C8 C9 F5 -171.3(3) . . . . ?
F1 C8 C9 F3 -160.0(3) . . . . ?
F2 C8 C9 F3 -49.9(4) . . . . ?
C7 C8 C9 F3 72.1(4) . . . . ?
O1 C7 C10 F6 -176.4(3) . . . . ?
C6 C7 C10 F6 68.4(3) . . . . ?
C8 C7 C10 F6 -56.9(4) . . . . ?
O1 C7 C10 F7 66.8(3) . . . . ?
C6 C7 C10 F7 -48.5(3) . . . . ?
C8 C7 C10 F7 -173.7(3) . . . . ?
O1 C7 C10 C11 -49.3(4) . . . . ?
C6 C7 C10 C11 -164.5(3) . . . . ?
C8 C7 C10 C11 70.2(4) . . . . ?
F6 C10 C11 F8 -174.8(4) . . . . ?
F7 C10 C11 F8 -61.3(5) . . . . ?
C7 C10 C11 F8 56.7(5) . . . . ?
F6 C10 C11 F9 59.0(5) . . . . ?
F7 C10 C11 F9 172.4(4) . . . . ?
C7 C10 C11 F9 -69.6(5) . . . . ?
F6 C10 C11 F10 -55.3(4) . . . . ?
F7 C10 C11 F10 58.1(4) . . . . ?
C7 C10 C11 F10 176.1(3) . . . . ?
C17 C12 C13 C14 1.7(5) . . . . ?
P1 C12 C13 C14 -178.7(3) . . . . ?
C12 C13 C14 C15 0.0(5) . . . . ?
C13 C14 C15 C16 -1.5(6) . . . . ?
C14 C15 C16 C17 1.3(5) . . . . ?
C13 C12 C17 C16 -1.9(4) . . . . ?
P1 C12 C17 C16 178.5(2) . . . . ?
C13 C12 C17 C18 174.0(3) . . . . ?
P1 C12 C17 C18 -5.6(3) . . . . ?
C15 C16 C17 C12 0.4(5) . . . . ?
C15 C16 C17 C18 -174.9(3) . . . . ?
C12 C17 C18 O2 4.6(3) . . . . ?
C16 C17 C18 O2 -179.6(3) . . . . ?
C12 C17 C18 C19 125.3(3) . . . . ?
C16 C17 C18 C19 -58.9(4) . . . . ?
C12 C17 C18 C21 -110.7(3) . . . . ?
C16 C17 C18 C21 65.1(4) . . . . ?
O2 C18 C19 F11 -45.3(3) . . . . ?
C17 C18 C19 F11 -165.6(2) . . . . ?
C21 C18 C19 F11 71.6(3) . . . . ?
O2 C18 C19 F12 -162.9(2) . . . . ?
C17 C18 C19 F12 76.8(3) . . . . ?
C21 C18 C19 F12 -46.0(3) . . . . ?
O2 C18 C19 C20 77.2(3) . . . . ?
C17 C18 C19 C20 -43.1(4) . . . . ?
C21 C18 C19 C20 -165.9(3) . . . . ?
F11 C19 C20 F14 73.4(3) . . . . ?
F12 C19 C20 F14 -172.4(3) . . . . ?
C18 C19 C20 F14 -50.5(4) . . . . ?
F11 C19 C20 F15 -46.6(3) . . . . ?
F12 C19 C20 F15 67.7(4) . . . . ?
C18 C19 C20 F15 -170.5(3) . . . . ?
F11 C19 C20 F13 -164.7(3) . . . . ?
F12 C19 C20 F13 -50.5(3) . . . . ?
C18 C19 C20 F13 71.4(4) . . . . ?
O2 C18 C21 F17 -172.3(2) . . . . ?
C17 C18 C21 F17 -56.5(3) . . . . ?
C19 C18 C21 F17 69.8(3) . . . . ?
O2 C18 C21 F16 -57.1(3) . . . . ?
C17 C18 C21 F16 58.7(3) . . . . ?
C19 C18 C21 F16 -175.0(2) . . . . ?
O2 C18 C21 C22 63.6(3) . . . . ?
C17 C18 C21 C22 179.4(2) . . . . ?
C19 C18 C21 C22 -54.3(3) . . . . ?
F17 C21 C22 F19 -173.6(3) . . . . ?
F16 C21 C22 F19 73.7(3) . . . . ?
C18 C21 C22 F19 -47.2(4) . . . . ?
F17 C21 C22 F18 -52.1(4) . . . . ?
F16 C21 C22 F18 -164.7(3) . . . . ?
C18 C21 C22 F18 74.4(4) . . . . ?
F17 C21 C22 F20 66.2(3) . . . . ?
F16 C21 C22 F20 -46.4(3) . . . . ?
C18 C21 C22 F20 -167.3(3) . . . . ?
C28 C23 C24 C25 8.0(4) . . . . ?
P1 C23 C24 C25 -170.2(2) . . . . ?
C28 C23 C24 C29 -166.1(3) . . . . ?
P1 C23 C24 C29 15.7(4) . . . . ?
C23 C24 C25 C26 -1.1(4) . . . . ?
C29 C24 C25 C26 173.5(3) . . . . ?
C24 C25 C26 C27 -4.2(5) . . . . ?
C24 C25 C26 C30 177.5(3) . . . . ?
C25 C26 C27 C28 2.6(4) . . . . ?
C30 C26 C27 C28 -179.2(3) . . . . ?
C26 C27 C28 C23 4.3(4) . . . . ?
C26 C27 C28 C31 -171.5(3) . . . . ?
C24 C23 C28 C27 -9.5(4) . . . . ?
P1 C23 C28 C27 168.7(2) . . . . ?
C24 C23 C28 C31 165.8(3) . . . . ?
P1 C23 C28 C31 -16.0(4) . . . . ?
C6 C1 P1 O2 76.8(2) . . . . ?
C2 C1 P1 O2 -95.6(2) . . . . ?
C6 C1 P1 O1 -5.05(19) . . . . ?
C2 C1 P1 O1 -177.5(2) . . . . ?
C6 C1 P1 C23 -90.2(2) . . . . ?
C2 C1 P1 C23 97.4(3) . . . . ?
C6 C1 P1 C12 167.45(19) . . . . ?
C2 C1 P1 C12 -5.0(3) . . . . ?
C28 C23 P1 O2 -18.0(3) . . . . ?
C24 C23 P1 O2 160.2(2) . . . . ?
C28 C23 P1 O1 63.4(2) . . . . ?
C24 C23 P1 O1 -118.4(2) . . . . ?
C28 C23 P1 C1 148.0(2) . . . . ?
C24 C23 P1 C1 -33.8(3) . . . . ?
C28 C23 P1 C12 -107.8(2) . . . . ?
C24 C23 P1 C12 70.4(2) . . . . ?
C17 C12 P1 O2 4.1(2) . . . . ?
C13 C12 P1 O2 -175.5(3) . . . . ?
C17 C12 P1 O1 17.4(8) . . . . ?
C13 C12 P1 O1 -162.2(5) . . . . ?
C17 C12 P1 C1 -108.5(2) . . . . ?
C13 C12 P1 C1 71.9(3) . . . . ?
C17 C12 P1 C23 125.3(2) . . . . ?
C13 C12 P1 C23 -54.3(3) . . . . ?
C6 C7 O1 P1 6.8(3) . . . . ?
C8 C7 O1 P1 131.5(2) . . . . ?
C10 C7 O1 P1 -107.4(2) . . . . ?
O2 P1 O1 C7 -114.83(19) . . . . ?
C1 P1 O1 C7 -1.48(19) . . . . ?
C23 P1 O1 C7 123.41(19) . . . . ?
C12 P1 O1 C7 -128.2(6) . . . . ?
C17 C18 O2 P1 -1.5(3) . . . . ?
C19 C18 O2 P1 -125.9(2) . . . . ?
C21 C18 O2 P1 114.8(2) . . . . ?
O1 P1 O2 C18 -179.19(19) . . . . ?
C1 P1 O2 C18 97.0(2) . . . . ?
C23 P1 O2 C18 -95.5(2) . . . . ?
C12 P1 O2 C18 -1.33(19) . . . . ?
C37 C32 C33 C34 -2.3(4) . . . . ?
P2 C32 C33 C34 -179.1(2) . . . . ?
C32 C33 C34 C35 1.4(4) . . . . ?
C33 C34 C35 C36 0.4(5) . . . . ?
C34 C35 C36 C37 -1.2(5) . . . . ?
C35 C36 C37 C32 0.2(5) . . . . ?
C35 C36 C37 C38 177.4(3) . . . . ?
C33 C32 C37 C36 1.5(4) . . . . ?
P2 C32 C37 C36 178.7(2) . . . . ?
C33 C32 C37 C38 -176.1(2) . . . . ?
P2 C32 C37 C38 1.1(3) . . . . ?
C36 C37 C38 O3 -177.3(3) . . . . ?
C32 C37 C38 O3 0.1(3) . . . . ?
C36 C37 C38 C39 -57.9(4) . . . . ?
C32 C37 C38 C39 119.6(2) . . . . ?
C36 C37 C38 C41 65.2(3) . . . . ?
C32 C37 C38 C41 -117.3(2) . . . . ?
O3 C38 C39 F22 88.5(3) . . . . ?
C37 C38 C39 F22 -29.7(3) . . . . ?
C41 C38 C39 F22 -148.9(3) . . . . ?
O3 C38 C39 F21 -153.0(2) . . . . ?
C37 C38 C39 F21 88.8(3) . . . . ?
C41 C38 C39 F21 -30.4(3) . . . . ?
O3 C38 C39 C40 -29.5(3) . . . . ?
C37 C38 C39 C40 -147.7(2) . . . . ?
C41 C38 C39 C40 93.1(3) . . . . ?
F22 C39 C40 F24 -164.4(3) . . . . ?
F21 C39 C40 F24 81.4(4) . . . . ?
C38 C39 C40 F24 -43.7(4) . . . . ?
F22 C39 C40 F23 -42.3(4) . . . . ?
F21 C39 C40 F23 -156.5(3) . . . . ?
C38 C39 C40 F23 78.4(3) . . . . ?
F22 C39 C40 F25 74.0(3) . . . . ?
F21 C39 C40 F25 -40.2(3) . . . . ?
C38 C39 C40 F25 -165.3(3) . . . . ?
O3 C38 C41 F27 -173.1(2) . . . . ?
C37 C38 C41 F27 -56.5(3) . . . . ?
C39 C38 C41 F27 63.7(3) . . . . ?
O3 C38 C41 F26 -59.0(3) . . . . ?
C37 C38 C41 F26 57.6(3) . . . . ?
C39 C38 C41 F26 177.8(2) . . . . ?
O3 C38 C41 C42 60.5(3) . . . . ?
C37 C38 C41 C42 177.2(3) . . . . ?
C39 C38 C41 C42 -62.6(4) . . . . ?
F27 C41 C42 F29 177.8(3) . . . . ?
F26 C41 C42 F29 66.7(4) . . . . ?
C38 C41 C42 F29 -53.6(4) . . . . ?
F27 C41 C42 F30 57.4(4) . . . . ?
F26 C41 C42 F30 -53.7(4) . . . . ?
C38 C41 C42 F30 -174.1(3) . . . . ?
F27 C41 C42 F28 -58.1(4) . . . . ?
F26 C41 C42 F28 -169.3(3) . . . . ?
C38 C41 C42 F28 70.4(4) . . . . ?
C48 C43 C44 C45 -3.5(4) . . . . ?
P2 C43 C44 C45 175.4(2) . . . . ?
C43 C44 C45 C46 0.8(5) . . . . ?
C44 C45 C46 C47 1.8(5) . . . . ?
C45 C46 C47 C48 -1.6(5) . . . . ?
C44 C43 C48 C47 3.8(4) . . . . ?
P2 C43 C48 C47 -175.3(2) . . . . ?
C44 C43 C48 C49 -170.8(2) . . . . ?
P2 C43 C48 C49 10.1(3) . . . . ?
C46 C47 C48 C43 -1.3(5) . . . . ?
C46 C47 C48 C49 172.5(3) . . . . ?
C43 C48 C49 O4 -5.8(3) . . . . ?
C47 C48 C49 O4 179.7(3) . . . . ?
C43 C48 C49 C50 -127.4(3) . . . . ?
C47 C48 C49 C50 58.2(4) . . . . ?
C43 C48 C49 C52 109.1(3) . . . . ?
C47 C48 C49 C52 -65.3(4) . . . . ?
O4 C49 C50 F32 47.6(3) . . . . ?
C48 C49 C50 F32 169.0(3) . . . . ?
C52 C49 C50 F32 -70.0(3) . . . . ?
O4 C49 C50 F31 166.1(2) . . . . ?
C48 C49 C50 F31 -72.5(3) . . . . ?
C52 C49 C50 F31 48.6(3) . . . . ?
O4 C49 C50 C51 -73.8(3) . . . . ?
C48 C49 C50 C51 47.6(4) . . . . ?
C52 C49 C50 C51 168.7(3) . . . . ?
F32 C50 C51 F33 -64.0(4) . . . . ?
F31 C50 C51 F33 -178.4(3) . . . . ?
C49 C50 C51 F33 59.6(4) . . . . ?
F32 C50 C51 F34 174.6(3) . . . . ?
F31 C50 C51 F34 60.3(4) . . . . ?
C49 C50 C51 F34 -61.8(4) . . . . ?
F32 C50 C51 F35 56.3(3) . . . . ?
F31 C50 C51 F35 -58.1(4) . . . . ?
C49 C50 C51 F35 179.9(3) . . . . ?
O4 C49 C52 F37 59.2(3) . . . . ?
C48 C49 C52 F37 -56.4(3) . . . . ?
C50 C49 C52 F37 177.3(2) . . . . ?
O4 C49 C52 F36 175.0(3) . . . . ?
C48 C49 C52 F36 59.5(3) . . . . ?
C50 C49 C52 F36 -66.8(3) . . . . ?
O4 C49 C52 C53 -61.8(4) . . . . ?
C48 C49 C52 C53 -177.3(3) . . . . ?
C50 C49 C52 C53 56.4(4) . . . . ?
F37 C52 C53 F39 161.8(3) . . . . ?
F36 C52 C53 F39 47.4(5) . . . . ?
C49 C52 C53 F39 -77.6(4) . . . . ?
F37 C52 C53 F38 -74.4(4) . . . . ?
F36 C52 C53 F38 171.2(3) . . . . ?
C49 C52 C53 F38 46.3(5) . . . . ?
F37 C52 C53 F40 45.2(4) . . . . ?
F36 C52 C53 F40 -69.2(4) . . . . ?
C49 C52 C53 F40 165.8(3) . . . . ?
C59 C54 C55 C56 6.8(4) . . . . ?
P2 C54 C55 C56 -174.4(2) . . . . ?
C59 C54 C55 C60 -168.9(3) . . . . ?
P2 C54 C55 C60 9.9(4) . . . . ?
C54 C55 C56 C57 -4.0(4) . . . . ?
C60 C55 C56 C57 172.1(3) . . . . ?
C55 C56 C57 C58 -1.1(4) . . . . ?
C55 C56 C57 C61 179.7(3) . . . . ?
C56 C57 C58 C59 3.3(4) . . . . ?
C61 C57 C58 C59 -177.4(3) . . . . ?
C57 C58 C59 C54 -0.4(4) . . . . ?
C57 C58 C59 C62 -175.2(2) . . . . ?
C55 C54 C59 C58 -4.7(4) . . . . ?
P2 C54 C59 C58 176.49(19) . . . . ?
C55 C54 C59 C62 169.5(2) . . . . ?
P2 C54 C59 C62 -9.3(3) . . . . ?
C37 C32 P2 O4 -81.9(2) . . . . ?
C33 C32 P2 O4 95.0(2) . . . . ?
C37 C32 P2 O3 -1.46(19) . . . . ?
C33 C32 P2 O3 175.4(2) . . . . ?
C37 C32 P2 C54 84.8(2) . . . . ?
C33 C32 P2 C54 -98.3(2) . . . . ?
C37 C32 P2 C43 -172.88(19) . . . . ?
C33 C32 P2 C43 4.0(2) . . . . ?
C55 C54 P2 O4 12.9(3) . . . . ?
C59 C54 P2 O4 -168.35(18) . . . . ?
C55 C54 P2 O3 -66.7(2) . . . . ?
C59 C54 P2 O3 112.1(2) . . . . ?
C55 C54 P2 C32 -152.4(2) . . . . ?
C59 C54 P2 C32 26.4(2) . . . . ?
C55 C54 P2 C43 104.0(2) . . . . ?
C59 C54 P2 C43 -77.3(2) . . . . ?
C48 C43 P2 O4 -9.2(2) . . . . ?
C44 C43 P2 O4 171.8(3) . . . . ?
C48 C43 P2 O3 -18.4(7) . . . . ?
C44 C43 P2 O3 162.6(5) . . . . ?
C48 C43 P2 C32 105.8(2) . . . . ?
C44 C43 P2 C32 -73.2(3) . . . . ?
C48 C43 P2 C54 -134.2(2) . . . . ?
C44 C43 P2 C54 46.8(3) . . . . ?
C37 C38 O3 P2 -1.3(2) . . . . ?
C39 C38 O3 P2 -120.01(19) . . . . ?
C41 C38 O3 P2 114.81(19) . . . . ?
O4 P2 O3 C38 117.47(18) . . . . ?
C32 P2 O3 C38 1.62(18) . . . . ?
C54 P2 O3 C38 -116.77(18) . . . . ?
C43 P2 O3 C38 126.7(5) . . . . ?
C48 C49 O4 P2 -1.6(3) . . . . ?
C50 C49 O4 P2 124.2(2) . . . . ?
C52 C49 O4 P2 -116.0(2) . . . . ?
O3 P2 O4 C49 -175.7(2) . . . . ?
C32 P2 O4 C49 -92.4(2) . . . . ?
C54 P2 O4 C49 102.0(2) . . . . ?
C43 P2 O4 C49 6.0(2) . . . . ?
