#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:14:47 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179745 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/41/7004128.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_7004128
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            'C28 H13 F20 O2 P'
_chemical_formula_weight         792.35
_chemical_melting_point          115
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.6920(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   9.6370(2)
_cell_length_b                   37.4070(13)
_cell_length_c                   16.1350(8)
_cell_measurement_temperature    173
_cell_measurement_theta_max      27.9
_cell_measurement_theta_min      1.4
_cell_volume                     5776.9(4)
_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      173
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.657
_diffrn_measured_fraction_theta_max 0.657
_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     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0615
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       49
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            9091
_diffrn_reflns_theta_full        27.91
_diffrn_reflns_theta_max         27.91
_diffrn_reflns_theta_min         1.38
_exptl_absorpt_coefficient_mu    0.254
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.822
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.776
_refine_diff_density_min         -1.280
_refine_diff_density_rms         0.291
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.118
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     919
_refine_ls_number_reflns         9091
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.118
_refine_ls_R_factor_all          0.1330
_refine_ls_R_factor_gt           0.0839
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1822P)²+3.8368P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2364
_refine_ls_wR_factor_ref         0.2914
_reflns_number_gt                5924
_reflns_number_total             9091
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b802947d.txt
_cod_data_source_block           compound12a
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7004128
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0884(6) 0.17779(14) -0.2645(4) 0.0234(13) Uani 1 1 d . . .
C2 C 0.2302(6) 0.18272(15) -0.2334(5) 0.0287(15) Uani 1 1 d . . .
H2A H 0.3016 0.1741 -0.2642 0.034 Uiso 1 1 calc R . .
C3 C 0.2652(7) 0.19997(16) -0.1585(5) 0.0312(16) Uani 1 1 d . . .
H3A H 0.3610 0.2028 -0.1379 0.037 Uiso 1 1 calc R . .
C4 C 0.1633(7) 0.21335(17) -0.1123(5) 0.0332(16) Uani 1 1 d . . .
H4A H 0.1898 0.2252 -0.0608 0.040 Uiso 1 1 calc R . .
C5 C 0.0216(7) 0.20928(16) -0.1420(5) 0.0319(16) Uani 1 1 d . . .
H5A H -0.0491 0.2184 -0.1114 0.038 Uiso 1 1 calc R . .
C6 C -0.0129(6) 0.19148(14) -0.2179(5) 0.0245(14) Uani 1 1 d . . .
C7 C -0.1617(6) 0.18549(14) -0.2613(4) 0.0205(12) Uani 1 1 d . . .
C8 C -0.2264(6) 0.22302(15) -0.2887(5) 0.0273(15) Uani 1 1 d . . .
C9 C -0.3697(7) 0.22573(18) -0.3406(6) 0.0374(19) Uani 1 1 d . . .
C10 C -0.2540(6) 0.16397(15) -0.2058(5) 0.0251(14) Uani 1 1 d . . .
C11 C -0.1974(7) 0.12799(18) -0.1694(6) 0.037(2) Uani 1 1 d . . .
C12 C 0.1878(6) 0.15353(14) -0.4123(5) 0.0261(15) Uani 1 1 d . . .
C13 C 0.3087(6) 0.13397(15) -0.3863(5) 0.0315(17) Uani 1 1 d . . .
H13A H 0.3151 0.1211 -0.3353 0.038 Uiso 1 1 calc R . .
C14 C 0.4184(6) 0.13317(16) -0.4336(5) 0.0329(18) Uani 1 1 d . . .
H14A H 0.4995 0.1197 -0.4150 0.039 Uiso 1 1 calc R . .
C15 C 0.4118(6) 0.15182(17) -0.5079(5) 0.0330(17) Uani 1 1 d . . .
H15A H 0.4886 0.1510 -0.5399 0.040 Uiso 1 1 calc R . .
C16 C 0.2942(7) 0.17182(17) -0.5365(5) 0.0345(18) Uani 1 1 d . . .
H16A H 0.2891 0.1848 -0.5873 0.041 Uiso 1 1 calc R . .
C17 C 0.1833(6) 0.17209(14) -0.4873(5) 0.0278(16) Uani 1 1 d . . .
C18 C 0.0431(6) 0.19089(14) -0.5092(5) 0.0234(14) Uani 1 1 d . . .
C19 C 0.0566(6) 0.23220(15) -0.5174(5) 0.0262(15) Uani 1 1 d . . .
C20 C 0.1594(7) 0.25193(16) -0.4519(6) 0.038(2) Uani 1 1 d . . .
C21 C -0.0352(6) 0.17366(15) -0.5896(5) 0.0266(15) Uani 1 1 d . . .
C22 C -0.1809(8) 0.18629(17) -0.6251(6) 0.0350(18) Uani 1 1 d . . .
C23 C -0.0260(6) 0.11087(14) -0.3742(4) 0.0232(13) Uani 1 1 d . . .
C24 C 0.0584(6) 0.08455(15) -0.3322(6) 0.0342(19) Uani 1 1 d . . .
H24A H 0.1393 0.0913 -0.2963 0.041 Uiso 1 1 calc R . .
C25 C 0.0248(7) 0.04878(17) -0.3428(6) 0.043(2) Uani 1 1 d . . .
H25A H 0.0819 0.0312 -0.3132 0.052 Uiso 1 1 calc R . .
C26 C -0.0907(7) 0.03845(17) -0.3957(5) 0.0386(19) Uani 1 1 d . . .
H26A H -0.1117 0.0138 -0.4044 0.046 Uiso 1 1 calc R . .
C27 C -0.1752(8) 0.06435(18) -0.4359(6) 0.0372(18) Uani 1 1 d . . .
H27A H -0.2561 0.0573 -0.4714 0.045 Uiso 1 1 calc R . .
C28 C -0.1457(7) 0.10011(17) -0.4259(5) 0.0329(17) Uani 1 1 d . . .
H28A H -0.2062 0.1175 -0.4539 0.040 Uiso 1 1 calc R . .
F1 F -0.1354(4) 0.23900(9) -0.3351(3) 0.0326(10) Uani 1 1 d . . .
F2 F -0.2333(4) 0.24405(10) -0.2203(3) 0.0382(11) Uani 1 1 d . . .
F3 F -0.3835(5) 0.20352(13) -0.4043(4) 0.0631(18) Uani 1 1 d . . .
F4 F -0.3883(5) 0.25907(11) -0.3708(4) 0.0549(15) Uani 1 1 d . . .
F5 F -0.4730(5) 0.21963(14) -0.2935(4) 0.0670(18) Uani 1 1 d . . .
F6 F -0.3783(4) 0.15609(11) -0.2512(3) 0.0411(12) Uani 1 1 d . . .
F7 F -0.2814(5) 0.18386(11) -0.1403(3) 0.0467(13) Uani 1 1 d . . .
F8 F -0.1902(7) 0.10397(12) -0.2296(4) 0.073(2) Uani 1 1 d . . .
F9 F -0.2825(4) 0.11468(11) -0.1198(3) 0.0433(12) Uani 1 1 d . . .
F10 F -0.0724(5) 0.13035(16) -0.1282(5) 0.089(3) Uani 1 1 d . . .
F11 F -0.0696(4) 0.24750(9) -0.5128(3) 0.0349(10) Uani 1 1 d . . .
F12 F 0.0965(4) 0.24075(10) -0.5926(3) 0.0420(11) Uani 1 1 d . . .
F13 F 0.1390(5) 0.28692(10) -0.4579(4) 0.0506(14) Uani 1 1 d . . .
F14 F 0.2911(4) 0.24598(12) -0.4650(4) 0.0530(15) Uani 1 1 d . . .
F15 F 0.1438(5) 0.24196(12) -0.3742(3) 0.0452(12) Uani 1 1 d . . .
F16 F -0.0515(4) 0.13856(9) -0.5725(3) 0.0342(10) Uani 1 1 d . . .
F17 F 0.0436(4) 0.17512(11) -0.6542(3) 0.0386(11) Uani 1 1 d . . .
F18 F -0.2675(4) 0.18904(14) -0.5678(4) 0.0540(14) Uani 1 1 d . . .
F19 F -0.2361(5) 0.16383(11) -0.6843(3) 0.0481(13) Uani 1 1 d . . .
F20 F -0.1769(5) 0.21836(11) -0.6622(3) 0.0499(13) Uani 1 1 d . . .
O1 O -0.1494(4) 0.16555(10) -0.3334(3) 0.0219(10) Uani 1 1 d . . .
O2 O -0.0393(4) 0.18422(10) -0.4447(3) 0.0234(10) Uani 1 1 d . . .
P1 P 0.01910(14) 0.15818(3) -0.36430(12) 0.0219(4) Uani 1 1 d . . .
C29 C 0.2472(6) 0.05793(13) 0.3028(4) 0.0208(12) Uani 1 1 d . . .
C30 C 0.1445(6) 0.07342(15) 0.3474(5) 0.0300(16) Uani 1 1 d . . .
H30A H 0.0682 0.0860 0.3183 0.036 Uiso 1 1 calc R . .
C31 C 0.1552(6) 0.07030(16) 0.4345(5) 0.0287(15) Uani 1 1 d . . .
H31A H 0.0856 0.0807 0.4641 0.034 Uiso 1 1 calc R . .
C32 C 0.2660(7) 0.05225(15) 0.4777(5) 0.0298(15) Uani 1 1 d . . .
H32A H 0.2712 0.0500 0.5367 0.036 Uiso 1 1 calc R . .
C33 C 0.3702(6) 0.03731(15) 0.4355(5) 0.0263(14) Uani 1 1 d . . .
H33A H 0.4473 0.0253 0.4654 0.032 Uiso 1 1 calc R . .
C34 C 0.3599(5) 0.04021(13) 0.3486(5) 0.0225(13) Uani 1 1 d . . .
C35 C 0.4603(6) 0.02501(14) 0.2923(5) 0.0238(14) Uani 1 1 d . . .
C36 C 0.6151(6) 0.03669(14) 0.3164(5) 0.0257(15) Uani 1 1 d . . .
C37 C 0.6448(6) 0.07688(15) 0.3291(5) 0.0267(16) Uani 1 1 d . . .
C38 C 0.4461(6) -0.01708(14) 0.2946(5) 0.0225(14) Uani 1 1 d . . .
C39 C 0.5289(7) -0.04104(15) 0.2404(6) 0.0314(17) Uani 1 1 d . . .
C40 C 0.0970(6) 0.08856(15) 0.1582(4) 0.0230(14) Uani 1 1 d . . .
C41 C -0.0431(6) 0.08298(18) 0.1704(5) 0.0330(17) Uani 1 1 d . . .
H41A H -0.0697 0.0624 0.1992 0.040 Uiso 1 1 calc R . .
C42 C -0.1421(7) 0.1080(2) 0.1395(6) 0.040(2) Uani 1 1 d . . .
H42A H -0.2376 0.1041 0.1463 0.048 Uiso 1 1 calc R . .
C43 C -0.1048(8) 0.1385(2) 0.0992(6) 0.043(2) Uani 1 1 d . . .
H43A H -0.1739 0.1556 0.0797 0.051 Uiso 1 1 calc R . .
C44 C 0.0340(7) 0.14405(18) 0.0872(5) 0.0333(17) Uani 1 1 d . . .
H44A H 0.0614 0.1648 0.0594 0.040 Uiso 1 1 calc R . .
C45 C 0.1306(6) 0.11865(15) 0.1168(5) 0.0281(15) Uani 1 1 d . . .
C46 C 0.2849(6) 0.11832(14) 0.1021(5) 0.0251(15) Uani 1 1 d . . .
C47 C 0.3682(6) 0.15129(14) 0.1383(5) 0.0288(16) Uani 1 1 d . . .
C48 C 0.3471(7) 0.16268(16) 0.2277(5) 0.0331(17) Uani 1 1 d . . .
C49 C 0.2922(6) 0.11339(15) 0.0052(5) 0.0247(13) Uani 1 1 d . . .
C50 C 0.4345(8) 0.11244(18) -0.0287(6) 0.0381(19) Uani 1 1 d . . .
C51 C 0.1875(6) 0.01974(15) 0.1310(5) 0.0307(16) Uani 1 1 d . . .
C52 C 0.0742(7) 0.00057(16) 0.1538(6) 0.0362(19) Uani 1 1 d . . .
H52A H 0.0282 0.0087 0.1993 0.043 Uiso 1 1 calc R . .
C53 C 0.0274(8) -0.03004(19) 0.1118(6) 0.044(2) Uani 1 1 d . . .
H53A H -0.0486 -0.0432 0.1290 0.052 Uiso 1 1 calc R . .
C54 C 0.0933(8) -0.04143(18) 0.0437(6) 0.048(2) Uani 1 1 d . . .
H54A H 0.0598 -0.0621 0.0134 0.058 Uiso 1 1 calc R . .
C55 C 0.2064(8) -0.02303(18) 0.0197(6) 0.042(2) Uani 1 1 d . . .
H55A H 0.2511 -0.0312 -0.0262 0.051 Uiso 1 1 calc R . .
C56 C 0.2547(7) 0.00770(17) 0.0635(5) 0.0331(16) Uani 1 1 d . . .
H56A H 0.3328 0.0204 0.0476 0.040 Uiso 1 1 calc R . .
F21 F 0.6930(4) 0.02705(10) 0.2545(3) 0.0354(11) Uani 1 1 d . . .
F22 F 0.6714(4) 0.01990(9) 0.3876(3) 0.0322(10) Uani 1 1 d . . .
F23 F 0.6004(4) 0.09605(10) 0.2635(3) 0.0433(13) Uani 1 1 d . . .
F24 F 0.7836(4) 0.08135(11) 0.3459(3) 0.0413(12) Uani 1 1 d . . .
F25 F 0.5890(4) 0.08935(10) 0.3954(3) 0.0430(12) Uani 1 1 d . . .
F26 F 0.3097(3) -0.02439(8) 0.2700(3) 0.0298(9) Uani 1 1 d . . .
F27 F 0.4753(4) -0.02941(9) 0.3736(3) 0.0332(10) Uani 1 1 d . . .
F28 F 0.5194(5) -0.03071(11) 0.1618(3) 0.0477(13) Uani 1 1 d . . .
F29 F 0.4809(5) -0.07457(9) 0.2441(3) 0.0420(12) Uani 1 1 d . . .
F30 F 0.6637(4) -0.04236(11) 0.2703(4) 0.0503(14) Uani 1 1 d . . .
F31 F 0.5075(4) 0.14490(9) 0.1397(3) 0.0344(10) Uani 1 1 d . . .
F32 F 0.3378(4) 0.18006(9) 0.0889(3) 0.0366(11) Uani 1 1 d . . .
F33 F 0.3504(5) 0.13523(11) 0.2796(3) 0.0479(13) Uani 1 1 d . . .
F34 F 0.2243(5) 0.17924(11) 0.2285(3) 0.0455(12) Uani 1 1 d . . .
F35 F 0.4446(5) 0.18584(11) 0.2574(3) 0.0499(13) Uani 1 1 d . . .
F36 F 0.2296(4) 0.08146(10) -0.0157(3) 0.0373(10) Uani 1 1 d . . .
F37 F 0.2175(4) 0.13920(10) -0.0379(3) 0.0389(11) Uani 1 1 d . . .
F38 F 0.5205(4) 0.08818(12) 0.0096(4) 0.0509(14) Uani 1 1 d . . .
F39 F 0.4971(5) 0.14391(11) -0.0238(3) 0.0470(13) Uani 1 1 d . . .
F40 F 0.4117(5) 0.10377(13) -0.1101(4) 0.0526(14) Uani 1 1 d . . .
O3 O 0.4218(4) 0.03713(10) 0.2113(3) 0.0227(10) Uani 1 1 d . . .
O4 O 0.3480(4) 0.08749(10) 0.1426(3) 0.0234(10) Uani 1 1 d . . .
P2 P 0.25369(15) 0.05876(4) 0.19037(12) 0.0221(4) 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'
O O 0.0106 0.0060 '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'
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
C6 C1 C2 118.0(6) . . ?
C6 C1 P1 114.5(4) . . ?
C2 C1 P1 127.3(5) . . ?
C3 C2 C1 120.1(6) . . ?
C3 C2 H2A 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C2 C3 C4 121.5(6) . . ?
C2 C3 H3A 119.3 . . ?
C4 C3 H3A 119.3 . . ?
C3 C4 C5 119.8(7) . . ?
C3 C4 H4A 120.1 . . ?
C5 C4 H4A 120.1 . . ?
C6 C5 C4 118.3(7) . . ?
C6 C5 H5A 120.9 . . ?
C4 C5 H5A 120.9 . . ?
C1 C6 C5 122.4(6) . . ?
C1 C6 C7 112.0(6) . . ?
C5 C6 C7 125.6(5) . . ?
O1 C7 C6 106.9(5) . . ?
O1 C7 C10 108.2(4) . . ?
C6 C7 C10 112.3(6) . . ?
O1 C7 C8 108.1(5) . . ?
C6 C7 C8 108.4(4) . . ?
C10 C7 C8 112.8(5) . . ?
F1 C8 F2 106.7(5) . . ?
F1 C8 C9 105.6(6) . . ?
F2 C8 C9 106.2(5) . . ?
F1 C8 C7 106.7(5) . . ?
F2 C8 C7 109.9(6) . . ?
C9 C8 C7 120.9(5) . . ?
F3 C9 F5 108.7(6) . . ?
F3 C9 F4 107.7(7) . . ?
F5 C9 F4 106.7(6) . . ?
F3 C9 C8 112.8(6) . . ?
F5 C9 C8 111.2(7) . . ?
F4 C9 C8 109.5(5) . . ?
F7 C10 F6 107.5(5) . . ?
F7 C10 C11 106.0(6) . . ?
F6 C10 C11 105.4(5) . . ?
F7 C10 C7 110.1(5) . . ?
F6 C10 C7 109.2(6) . . ?
C11 C10 C7 118.0(5) . . ?
F10 C11 F9 108.7(7) . . ?
F10 C11 F8 107.1(7) . . ?
F9 C11 F8 106.1(6) . . ?
F10 C11 C10 113.5(6) . . ?
F9 C11 C10 110.2(6) . . ?
F8 C11 C10 110.9(7) . . ?
C17 C12 C13 117.6(6) . . ?
C17 C12 P1 111.7(4) . . ?
C13 C12 P1 130.7(6) . . ?
C14 C13 C12 120.9(7) . . ?
C14 C13 H13A 119.6 . . ?
C12 C13 H13A 119.6 . . ?
C13 C14 C15 120.7(6) . . ?
C13 C14 H14A 119.7 . . ?
C15 C14 H14A 119.7 . . ?
C14 C15 C16 120.8(6) . . ?
C14 C15 H15A 119.6 . . ?
C16 C15 H15A 119.6 . . ?
C15 C16 C17 117.5(7) . . ?
C15 C16 H16A 121.3 . . ?
C17 C16 H16A 121.3 . . ?
C12 C17 C16 122.7(6) . . ?
C12 C17 C18 111.6(5) . . ?
C16 C17 C18 125.6(7) . . ?
O2 C18 C17 107.9(5) . . ?
O2 C18 C19 107.4(5) . . ?
C17 C18 C19 113.3(5) . . ?
O2 C18 C21 106.4(5) . . ?
C17 C18 C21 109.4(5) . . ?
C19 C18 C21 112.1(6) . . ?
F12 C19 F11 107.5(5) . . ?
F12 C19 C20 105.8(5) . . ?
F11 C19 C20 105.6(5) . . ?
F12 C19 C18 110.2(6) . . ?
F11 C19 C18 109.3(5) . . ?
C20 C19 C18 117.9(6) . . ?
F13 C20 F14 106.9(5) . . ?
F13 C20 F15 108.2(7) . . ?
F14 C20 F15 108.5(7) . . ?
F13 C20 C19 110.0(7) . . ?
F14 C20 C19 111.0(6) . . ?
F15 C20 C19 112.0(5) . . ?
F16 C21 F17 106.4(5) . . ?
F16 C21 C22 104.7(5) . . ?
F17 C21 C22 105.7(6) . . ?
F16 C21 C18 106.7(6) . . ?
F17 C21 C18 111.1(5) . . ?
C22 C21 C18 121.2(6) . . ?
F18 C22 F19 108.5(6) . . ?
F18 C22 F20 107.2(6) . . ?
F19 C22 F20 105.9(6) . . ?
F18 C22 C21 112.9(7) . . ?
F19 C22 C21 110.3(6) . . ?
F20 C22 C21 111.8(6) . . ?
C24 C23 C28 118.5(5) . . ?
C24 C23 P1 121.3(5) . . ?
C28 C23 P1 120.1(5) . . ?
C25 C24 C23 120.4(7) . . ?
C25 C24 H24A 119.8 . . ?
C23 C24 H24A 119.8 . . ?
C26 C25 C24 120.6(7) . . ?
C26 C25 H25A 119.7 . . ?
C24 C25 H25A 119.7 . . ?
C25 C26 C27 119.0(6) . . ?
C25 C26 H26A 120.5 . . ?
C27 C26 H26A 120.5 . . ?
C28 C27 C26 121.8(7) . . ?
C28 C27 H27A 119.1 . . ?
C26 C27 H27A 119.1 . . ?
C27 C28 C23 119.6(7) . . ?
C27 C28 H28A 120.2 . . ?
C23 C28 H28A 120.2 . . ?
C7 O1 P1 119.1(3) . . ?
C18 O2 P1 120.8(3) . . ?
O2 P1 O1 83.7(2) . . ?
O2 P1 C1 120.5(2) . . ?
O1 P1 C1 86.7(2) . . ?
O2 P1 C23 116.3(3) . . ?
O1 P1 C23 87.7(2) . . ?
C1 P1 C23 121.8(3) . . ?
O2 P1 C12 87.9(3) . . ?
O1 P1 C12 171.5(3) . . ?
C1 P1 C12 98.9(3) . . ?
C23 P1 C12 94.7(2) . . ?
C34 C29 C30 118.0(6) . . ?
C34 C29 P2 114.6(4) . . ?
C30 C29 P2 127.4(5) . . ?
C31 C30 C29 120.1(6) . . ?
C31 C30 H30A 119.9 . . ?
C29 C30 H30A 119.9 . . ?
C32 C31 C30 120.6(6) . . ?
C32 C31 H31A 119.7 . . ?
C30 C31 H31A 119.7 . . ?
C31 C32 C33 120.5(7) . . ?
C31 C32 H32A 119.8 . . ?
C33 C32 H32A 119.8 . . ?
C32 C33 C34 119.2(6) . . ?
C32 C33 H33A 120.4 . . ?
C34 C33 H33A 120.4 . . ?
C33 C34 C29 121.5(5) . . ?
C33 C34 C35 126.7(5) . . ?
C29 C34 C35 111.8(6) . . ?
O3 C35 C34 108.8(5) . . ?
O3 C35 C36 106.6(5) . . ?
C34 C35 C36 113.8(6) . . ?
O3 C35 C38 109.4(6) . . ?
C34 C35 C38 107.3(5) . . ?
C36 C35 C38 110.9(5) . . ?
F22 C36 F21 107.2(4) . . ?
F22 C36 C37 106.7(6) . . ?
F21 C36 C37 104.2(5) . . ?
F22 C36 C35 110.9(5) . . ?
F21 C36 C35 109.5(6) . . ?
C37 C36 C35 117.7(5) . . ?
F23 C37 F25 109.4(5) . . ?
F23 C37 F24 108.6(5) . . ?
F25 C37 F24 106.2(6) . . ?
F23 C37 C36 112.9(6) . . ?
F25 C37 C36 111.2(6) . . ?
F24 C37 C36 108.3(5) . . ?
F27 C38 F26 107.2(5) . . ?
F27 C38 C39 105.8(5) . . ?
F26 C38 C39 105.4(5) . . ?
F27 C38 C35 110.6(6) . . ?
F26 C38 C35 106.1(4) . . ?
C39 C38 C35 121.0(6) . . ?
F28 C39 F30 108.4(6) . . ?
F28 C39 F29 109.4(6) . . ?
F30 C39 F29 106.1(5) . . ?
F28 C39 C38 113.2(5) . . ?
F30 C39 C38 111.3(6) . . ?
F29 C39 C38 108.3(6) . . ?
C45 C40 C41 118.6(6) . . ?
C45 C40 P2 113.0(4) . . ?
C41 C40 P2 128.4(5) . . ?
C42 C41 C40 118.8(6) . . ?
C42 C41 H41A 120.6 . . ?
C40 C41 H41A 120.6 . . ?
C43 C42 C41 121.3(7) . . ?
C43 C42 H42A 119.3 . . ?
C41 C42 H42A 119.3 . . ?
C42 C43 C44 119.8(6) . . ?
C42 C43 H43A 120.1 . . ?
C44 C43 H43A 120.1 . . ?
C45 C44 C43 118.2(6) . . ?
C45 C44 H44A 120.9 . . ?
C43 C44 H44A 120.9 . . ?
C40 C45 C44 123.2(6) . . ?
C40 C45 C46 111.0(5) . . ?
C44 C45 C46 125.6(6) . . ?
O4 C46 C45 107.7(5) . . ?
O4 C46 C47 107.3(5) . . ?
C45 C46 C47 113.9(5) . . ?
O4 C46 C49 107.0(5) . . ?
C45 C46 C49 108.0(5) . . ?
C47 C46 C49 112.6(5) . . ?
F32 C47 F31 107.2(5) . . ?
F32 C47 C48 106.8(5) . . ?
F31 C47 C48 105.6(6) . . ?
F32 C47 C46 110.2(6) . . ?
F31 C47 C46 109.5(5) . . ?
C48 C47 C46 117.0(6) . . ?
F33 C48 F35 108.4(6) . . ?
F33 C48 F34 108.0(6) . . ?
F35 C48 F34 106.5(5) . . ?
F33 C48 C47 112.4(5) . . ?
F35 C48 C47 110.8(6) . . ?
F34 C48 C47 110.5(6) . . ?
F37 C49 F36 107.8(5) . . ?
F37 C49 C50 106.2(6) . . ?
F36 C49 C50 106.3(5) . . ?
F37 C49 C46 110.1(5) . . ?
F36 C49 C46 106.0(5) . . ?
C50 C49 C46 119.9(6) . . ?
F39 C50 F38 108.9(7) . . ?
F39 C50 F40 107.1(7) . . ?
F38 C50 F40 108.1(6) . . ?
F39 C50 C49 112.3(5) . . ?
F38 C50 C49 112.6(6) . . ?
F40 C50 C49 107.6(6) . . ?
C52 C51 C56 119.1(6) . . ?
C52 C51 P2 120.7(6) . . ?
C56 C51 P2 120.0(5) . . ?
C53 C52 C51 121.3(8) . . ?
C53 C52 H52A 119.3 . . ?
C51 C52 H52A 119.3 . . ?
C52 C53 C54 119.1(7) . . ?
C52 C53 H53A 120.5 . . ?
C54 C53 H53A 120.5 . . ?
C55 C54 C53 120.9(7) . . ?
C55 C54 H54A 119.6 . . ?
C53 C54 H54A 119.6 . . ?
C54 C55 C56 119.6(8) . . ?
C54 C55 H55A 120.2 . . ?
C56 C55 H55A 120.2 . . ?
C55 C56 C51 119.9(7) . . ?
C55 C56 H56A 120.1 . . ?
C51 C56 H56A 120.1 . . ?
C35 O3 P2 117.2(4) . . ?
C46 O4 P2 120.7(3) . . ?
O4 P2 O3 81.32(19) . . ?
O4 P2 C51 116.9(3) . . ?
O3 P2 C51 89.5(2) . . ?
O4 P2 C29 124.0(2) . . ?
O3 P2 C29 86.6(2) . . ?
C51 P2 C29 117.4(3) . . ?
O4 P2 C40 87.3(2) . . ?
O3 P2 C40 168.6(2) . . ?
C51 P2 C40 96.2(3) . . ?
C29 P2 C40 99.4(3) . . ?
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 1.397(8) . ?
C1 C2 1.412(8) . ?
C1 P1 1.824(7) . ?
C2 C3 1.376(10) . ?
C2 H2A 0.9500 . ?
C3 C4 1.393(10) . ?
C3 H3A 0.9500 . ?
C4 C5 1.402(9) . ?
C4 H4A 0.9500 . ?
C5 C6 1.399(9) . ?
C5 H5A 0.9500 . ?
C6 C7 1.537(8) . ?
C7 O1 1.399(7) . ?
C7 C10 1.557(8) . ?
C7 C8 1.579(8) . ?
C8 F1 1.356(7) . ?
C8 F2 1.363(7) . ?
C8 C9 1.533(10) . ?
C9 F3 1.317(9) . ?
C9 F5 1.339(9) . ?
C9 F4 1.344(8) . ?
C10 F7 1.345(7) . ?
C10 F6 1.362(8) . ?
C10 C11 1.543(9) . ?
C11 F10 1.309(9) . ?
C11 F9 1.309(8) . ?
C11 F8 1.331(9) . ?
C12 C17 1.390(10) . ?
C12 C13 1.398(8) . ?
C12 P1 1.889(6) . ?
C13 C14 1.373(9) . ?
C13 H13A 0.9500 . ?
C14 C15 1.383(10) . ?
C14 H14A 0.9500 . ?
C15 C16 1.391(9) . ?
C15 H15A 0.9500 . ?
C16 C17 1.403(9) . ?
C16 H16A 0.9500 . ?
C17 C18 1.528(8) . ?
C18 O2 1.405(8) . ?
C18 C19 1.557(8) . ?
C18 C21 1.561(10) . ?
C19 F12 1.352(8) . ?
C19 F11 1.354(7) . ?
C19 C20 1.550(10) . ?
C20 F13 1.325(7) . ?
C20 F14 1.329(8) . ?
C20 F15 1.334(10) . ?
C21 F16 1.354(7) . ?
C21 F17 1.360(8) . ?
C21 C22 1.528(9) . ?
C22 F18 1.321(9) . ?
C22 F19 1.334(8) . ?
C22 F20 1.343(8) . ?
C23 C24 1.401(8) . ?
C23 C28 1.402(9) . ?
C23 P1 1.825(6) . ?
C24 C25 1.382(9) . ?
C24 H24A 0.9500 . ?
C25 C26 1.377(11) . ?
C25 H25A 0.9500 . ?
C26 C27 1.379(11) . ?
C26 H26A 0.9500 . ?
C27 C28 1.373(9) . ?
C27 H27A 0.9500 . ?
C28 H28A 0.9500 . ?
O1 P1 1.775(4) . ?
O2 P1 1.666(5) . ?
C29 C34 1.407(8) . ?
C29 C30 1.413(8) . ?
C29 P2 1.823(7) . ?
C30 C31 1.402(10) . ?
C30 H30A 0.9500 . ?
C31 C32 1.382(9) . ?
C31 H31A 0.9500 . ?
C32 C33 1.395(9) . ?
C32 H32A 0.9500 . ?
C33 C34 1.399(9) . ?
C33 H33A 0.9500 . ?
C34 C35 1.513(8) . ?
C35 O3 1.392(8) . ?
C35 C36 1.559(8) . ?
C35 C38 1.581(8) . ?
C36 F22 1.365(8) . ?
C36 F21 1.367(8) . ?
C36 C37 1.540(8) . ?
C37 F23 1.309(8) . ?
C37 F25 1.336(8) . ?
C37 F24 1.344(7) . ?
C38 F27 1.354(8) . ?
C38 F26 1.356(6) . ?
C38 C39 1.539(9) . ?
C39 F28 1.318(9) . ?
C39 F30 1.333(8) . ?
C39 F29 1.341(7) . ?
C40 C45 1.367(8) . ?
C40 C41 1.402(8) . ?
C40 P2 1.900(6) . ?
C41 C42 1.388(9) . ?
C41 H41A 0.9500 . ?
C42 C43 1.380(10) . ?
C42 H42A 0.9500 . ?
C43 C44 1.390(10) . ?
C43 H43A 0.9500 . ?
C44 C45 1.376(8) . ?
C44 H44A 0.9500 . ?
C45 C46 1.533(8) . ?
C46 O4 1.426(6) . ?
C46 C47 1.548(8) . ?
C46 C49 1.584(10) . ?
C47 F32 1.351(7) . ?
C47 F31 1.362(7) . ?
C47 C48 1.540(11) . ?
C48 F33 1.323(8) . ?
C48 F35 1.326(8) . ?
C48 F34 1.338(7) . ?
C49 F37 1.348(7) . ?
C49 F36 1.363(7) . ?
C49 C50 1.534(9) . ?
C50 F39 1.321(8) . ?
C50 F38 1.331(9) . ?
C50 F40 1.346(10) . ?
C51 C52 1.392(9) . ?
C51 C56 1.404(10) . ?
C51 P2 1.820(7) . ?
C52 C53 1.379(10) . ?
C52 H52A 0.9500 . ?
C53 C54 1.399(13) . ?
C53 H53A 0.9500 . ?
C54 C55 1.382(11) . ?
C54 H54A 0.9500 . ?
C55 C56 1.400(9) . ?
C55 H55A 0.9500 . ?
C56 H56A 0.9500 . ?
O3 P2 1.807(4) . ?
O4 P2 1.655(4) . ?
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 1.2(9) . . . . ?
P1 C1 C2 C3 176.1(5) . . . . ?
C1 C2 C3 C4 -0.9(9) . . . . ?
C2 C3 C4 C5 0.1(10) . . . . ?
C3 C4 C5 C6 0.3(10) . . . . ?
C2 C1 C6 C5 -0.8(9) . . . . ?
P1 C1 C6 C5 -176.3(5) . . . . ?
C2 C1 C6 C7 177.6(5) . . . . ?
P1 C1 C6 C7 2.0(6) . . . . ?
C4 C5 C6 C1 0.0(9) . . . . ?
C4 C5 C6 C7 -178.1(6) . . . . ?
C1 C6 C7 O1 3.9(6) . . . . ?
C5 C6 C7 O1 -177.8(5) . . . . ?
C1 C6 C7 C10 122.4(5) . . . . ?
C5 C6 C7 C10 -59.4(7) . . . . ?
C1 C6 C7 C8 -112.4(6) . . . . ?
C5 C6 C7 C8 65.9(8) . . . . ?
O1 C7 C8 F1 -61.4(6) . . . . ?
C6 C7 C8 F1 54.2(7) . . . . ?
C10 C7 C8 F1 179.1(5) . . . . ?
O1 C7 C8 F2 -176.7(4) . . . . ?
C6 C7 C8 F2 -61.2(6) . . . . ?
C10 C7 C8 F2 63.7(6) . . . . ?
O1 C7 C8 C9 59.1(8) . . . . ?
C6 C7 C8 C9 174.6(6) . . . . ?
C10 C7 C8 C9 -60.5(9) . . . . ?
F1 C8 C9 F3 74.0(7) . . . . ?
F2 C8 C9 F3 -172.9(6) . . . . ?
C7 C8 C9 F3 -46.9(9) . . . . ?
F1 C8 C9 F5 -163.6(5) . . . . ?
F2 C8 C9 F5 -50.5(7) . . . . ?
C7 C8 C9 F5 75.5(8) . . . . ?
F1 C8 C9 F4 -45.9(8) . . . . ?
F2 C8 C9 F4 67.2(8) . . . . ?
C7 C8 C9 F4 -166.8(6) . . . . ?
O1 C7 C10 F7 -173.2(5) . . . . ?
C6 C7 C10 F7 69.1(6) . . . . ?
C8 C7 C10 F7 -53.7(7) . . . . ?
O1 C7 C10 F6 -55.3(6) . . . . ?
C6 C7 C10 F6 -173.1(5) . . . . ?
C8 C7 C10 F6 64.1(6) . . . . ?
O1 C7 C10 C11 65.0(8) . . . . ?
C6 C7 C10 C11 -52.8(8) . . . . ?
C8 C7 C10 C11 -175.6(6) . . . . ?
F7 C10 C11 F10 -70.6(8) . . . . ?
F6 C10 C11 F10 175.6(6) . . . . ?
C7 C10 C11 F10 53.3(10) . . . . ?
F7 C10 C11 F9 51.6(8) . . . . ?
F6 C10 C11 F9 -62.2(8) . . . . ?
C7 C10 C11 F9 175.5(6) . . . . ?
F7 C10 C11 F8 168.9(5) . . . . ?
F6 C10 C11 F8 55.0(7) . . . . ?
C7 C10 C11 F8 -67.2(8) . . . . ?
C17 C12 C13 C14 -0.2(9) . . . . ?
P1 C12 C13 C14 177.0(5) . . . . ?
C12 C13 C14 C15 0.2(9) . . . . ?
C13 C14 C15 C16 0.1(10) . . . . ?
C14 C15 C16 C17 -0.3(10) . . . . ?
C13 C12 C17 C16 -0.1(9) . . . . ?
P1 C12 C17 C16 -177.8(5) . . . . ?
C13 C12 C17 C18 177.7(5) . . . . ?
P1 C12 C17 C18 -0.1(6) . . . . ?
C15 C16 C17 C12 0.3(10) . . . . ?
C15 C16 C17 C18 -177.1(6) . . . . ?
C12 C17 C18 O2 1.4(7) . . . . ?
C16 C17 C18 O2 179.0(6) . . . . ?
C12 C17 C18 C19 120.2(6) . . . . ?
C16 C17 C18 C19 -62.2(9) . . . . ?
C12 C17 C18 C21 -114.0(6) . . . . ?
C16 C17 C18 C21 63.7(7) . . . . ?
O2 C18 C19 F12 -161.4(5) . . . . ?
C17 C18 C19 F12 79.5(8) . . . . ?
C21 C18 C19 F12 -44.9(7) . . . . ?
O2 C18 C19 F11 -43.5(8) . . . . ?
C17 C18 C19 F11 -162.5(6) . . . . ?
C21 C18 C19 F11 73.0(7) . . . . ?
O2 C18 C19 C20 77.0(7) . . . . ?
C17 C18 C19 C20 -42.1(9) . . . . ?
C21 C18 C19 C20 -166.5(6) . . . . ?
F12 C19 C20 F13 68.1(7) . . . . ?
F11 C19 C20 F13 -45.7(8) . . . . ?
C18 C19 C20 F13 -168.1(6) . . . . ?
F12 C19 C20 F14 -50.0(7) . . . . ?
F11 C19 C20 F14 -163.8(6) . . . . ?
C18 C19 C20 F14 73.8(8) . . . . ?
F12 C19 C20 F15 -171.5(5) . . . . ?
F11 C19 C20 F15 74.8(6) . . . . ?
C18 C19 C20 F15 -47.6(8) . . . . ?
O2 C18 C21 F16 -57.5(6) . . . . ?
C17 C18 C21 F16 58.7(6) . . . . ?
C19 C18 C21 F16 -174.7(5) . . . . ?
O2 C18 C21 F17 -173.2(4) . . . . ?
C17 C18 C21 F17 -56.9(6) . . . . ?
C19 C18 C21 F17 69.7(6) . . . . ?
O2 C18 C21 C22 61.9(7) . . . . ?
C17 C18 C21 C22 178.2(6) . . . . ?
C19 C18 C21 C22 -55.2(8) . . . . ?
F16 C21 C22 F18 72.9(7) . . . . ?
F17 C21 C22 F18 -175.0(5) . . . . ?
C18 C21 C22 F18 -47.6(8) . . . . ?
F16 C21 C22 F19 -48.7(8) . . . . ?
F17 C21 C22 F19 63.4(7) . . . . ?
C18 C21 C22 F19 -169.1(6) . . . . ?
F16 C21 C22 F20 -166.2(6) . . . . ?
F17 C21 C22 F20 -54.1(7) . . . . ?
C18 C21 C22 F20 73.4(9) . . . . ?
C28 C23 C24 C25 0.9(12) . . . . ?
P1 C23 C24 C25 -177.9(6) . . . . ?
C23 C24 C25 C26 1.1(13) . . . . ?
C24 C25 C26 C27 -2.3(12) . . . . ?
C25 C26 C27 C28 1.4(13) . . . . ?
C26 C27 C28 C23 0.6(13) . . . . ?
C24 C23 C28 C27 -1.7(11) . . . . ?
P1 C23 C28 C27 177.1(6) . . . . ?
C6 C7 O1 P1 -8.7(6) . . . . ?
C10 C7 O1 P1 -129.8(4) . . . . ?
C8 C7 O1 P1 107.7(4) . . . . ?
C17 C18 O2 P1 -2.4(6) . . . . ?
C19 C18 O2 P1 -124.9(5) . . . . ?
C21 C18 O2 P1 114.9(4) . . . . ?
C18 O2 P1 O1 -176.5(4) . . . . ?
C18 O2 P1 C1 101.1(5) . . . . ?
C18 O2 P1 C23 -92.2(4) . . . . ?
C18 O2 P1 C12 2.0(4) . . . . ?
C7 O1 P1 O2 -112.7(4) . . . . ?
C7 O1 P1 C1 8.5(4) . . . . ?
C7 O1 P1 C23 130.5(4) . . . . ?
C7 O1 P1 C12 -123.1(15) . . . . ?
C6 C1 P1 O2 75.2(5) . . . . ?
C2 C1 P1 O2 -99.9(5) . . . . ?
C6 C1 P1 O1 -5.5(4) . . . . ?
C2 C1 P1 O1 179.4(5) . . . . ?
C6 C1 P1 C23 -90.7(5) . . . . ?
C2 C1 P1 C23 94.2(6) . . . . ?
C6 C1 P1 C12 168.0(4) . . . . ?
C2 C1 P1 C12 -7.0(6) . . . . ?
C24 C23 P1 O2 152.9(6) . . . . ?
C28 C23 P1 O2 -25.9(6) . . . . ?
C24 C23 P1 O1 -125.3(6) . . . . ?
C28 C23 P1 O1 55.9(6) . . . . ?
C24 C23 P1 C1 -40.7(7) . . . . ?
C28 C23 P1 C1 140.6(5) . . . . ?
C24 C23 P1 C12 62.9(7) . . . . ?
C28 C23 P1 C12 -115.9(6) . . . . ?
C17 C12 P1 O2 -1.0(4) . . . . ?
C13 C12 P1 O2 -178.4(6) . . . . ?
C17 C12 P1 O1 9.3(18) . . . . ?
C13 C12 P1 O1 -168.1(13) . . . . ?
C17 C12 P1 C1 -121.6(5) . . . . ?
C13 C12 P1 C1 61.1(6) . . . . ?
C17 C12 P1 C23 115.2(5) . . . . ?
C13 C12 P1 C23 -62.2(6) . . . . ?
C34 C29 C30 C31 -1.3(8) . . . . ?
P2 C29 C30 C31 -180.0(5) . . . . ?
C29 C30 C31 C32 0.3(9) . . . . ?
C30 C31 C32 C33 1.0(9) . . . . ?
C31 C32 C33 C34 -1.2(9) . . . . ?
C32 C33 C34 C29 0.2(8) . . . . ?
C32 C33 C34 C35 -178.4(5) . . . . ?
C30 C29 C34 C33 1.1(8) . . . . ?
P2 C29 C34 C33 179.9(4) . . . . ?
C30 C29 C34 C35 179.8(5) . . . . ?
P2 C29 C34 C35 -1.3(6) . . . . ?
C33 C34 C35 O3 -173.4(5) . . . . ?
C29 C34 C35 O3 7.9(6) . . . . ?
C33 C34 C35 C36 -54.6(8) . . . . ?
C29 C34 C35 C36 126.7(5) . . . . ?
C33 C34 C35 C38 68.4(7) . . . . ?
C29 C34 C35 C38 -110.3(6) . . . . ?
O3 C35 C36 F22 -167.6(5) . . . . ?
C34 C35 C36 F22 72.5(6) . . . . ?
C38 C35 C36 F22 -48.6(8) . . . . ?
O3 C35 C36 F21 -49.5(6) . . . . ?
C34 C35 C36 F21 -169.4(5) . . . . ?
C38 C35 C36 F21 69.5(7) . . . . ?
O3 C35 C36 C37 69.2(8) . . . . ?
C34 C35 C36 C37 -50.7(9) . . . . ?
C38 C35 C36 C37 -171.8(7) . . . . ?
F22 C36 C37 F23 177.5(5) . . . . ?
F21 C36 C37 F23 64.3(6) . . . . ?
C35 C36 C37 F23 -57.2(9) . . . . ?
F22 C36 C37 F25 -59.0(6) . . . . ?
F21 C36 C37 F25 -172.2(5) . . . . ?
C35 C36 C37 F25 66.3(9) . . . . ?
F22 C36 C37 F24 57.3(8) . . . . ?
F21 C36 C37 F24 -55.9(8) . . . . ?
C35 C36 C37 F24 -177.4(6) . . . . ?
O3 C35 C38 F27 -176.5(4) . . . . ?
C34 C35 C38 F27 -58.7(6) . . . . ?
C36 C35 C38 F27 66.2(7) . . . . ?
O3 C35 C38 F26 -60.6(7) . . . . ?
C34 C35 C38 F26 57.2(8) . . . . ?
C36 C35 C38 F26 -177.9(5) . . . . ?
O3 C35 C38 C39 59.1(7) . . . . ?
C34 C35 C38 C39 176.9(6) . . . . ?
C36 C35 C38 C39 -58.2(9) . . . . ?
F27 C38 C39 F28 -175.3(5) . . . . ?
F26 C38 C39 F28 71.4(6) . . . . ?
C35 C38 C39 F28 -48.7(8) . . . . ?
F27 C38 C39 F30 -53.0(6) . . . . ?
F26 C38 C39 F30 -166.3(5) . . . . ?
C35 C38 C39 F30 73.6(8) . . . . ?
F27 C38 C39 F29 63.2(7) . . . . ?
F26 C38 C39 F29 -50.1(7) . . . . ?
C35 C38 C39 F29 -170.1(6) . . . . ?
C45 C40 C41 C42 0.4(11) . . . . ?
P2 C40 C41 C42 -178.3(6) . . . . ?
C40 C41 C42 C43 -1.6(13) . . . . ?
C41 C42 C43 C44 1.5(14) . . . . ?
C42 C43 C44 C45 -0.3(14) . . . . ?
C41 C40 C45 C44 0.8(11) . . . . ?
P2 C40 C45 C44 179.7(6) . . . . ?
C41 C40 C45 C46 -174.5(7) . . . . ?
P2 C40 C45 C46 4.5(8) . . . . ?
C43 C44 C45 C40 -0.9(13) . . . . ?
C43 C44 C45 C46 173.7(8) . . . . ?
C40 C45 C46 O4 -4.5(8) . . . . ?
C44 C45 C46 O4 -179.6(7) . . . . ?
C40 C45 C46 C47 -123.3(7) . . . . ?
C44 C45 C46 C47 61.6(10) . . . . ?
C40 C45 C46 C49 110.8(6) . . . . ?
C44 C45 C46 C49 -64.3(9) . . . . ?
O4 C46 C47 F32 164.5(5) . . . . ?
C45 C46 C47 F32 -76.4(7) . . . . ?
C49 C46 C47 F32 47.0(6) . . . . ?
O4 C46 C47 F31 46.9(8) . . . . ?
C45 C46 C47 F31 166.0(6) . . . . ?
C49 C46 C47 F31 -70.6(7) . . . . ?
O4 C46 C47 C48 -73.3(6) . . . . ?
C45 C46 C47 C48 45.8(8) . . . . ?
C49 C46 C47 C48 169.3(5) . . . . ?
F32 C47 C48 F33 169.2(5) . . . . ?
F31 C47 C48 F33 -77.0(6) . . . . ?
C46 C47 C48 F33 45.2(8) . . . . ?
F32 C47 C48 F35 -69.4(6) . . . . ?
F31 C47 C48 F35 44.4(6) . . . . ?
C46 C47 C48 F35 166.6(5) . . . . ?
F32 C47 C48 F34 48.4(7) . . . . ?
F31 C47 C48 F34 162.3(5) . . . . ?
C46 C47 C48 F34 -75.6(7) . . . . ?
O4 C46 C49 F37 171.6(4) . . . . ?
C45 C46 C49 F37 55.9(6) . . . . ?
C47 C46 C49 F37 -70.8(6) . . . . ?
O4 C46 C49 F36 55.2(6) . . . . ?
C45 C46 C49 F36 -60.5(6) . . . . ?
C47 C46 C49 F36 172.9(5) . . . . ?
O4 C46 C49 C50 -64.9(6) . . . . ?
C45 C46 C49 C50 179.4(5) . . . . ?
C47 C46 C49 C50 52.8(7) . . . . ?
F37 C49 C50 F39 55.7(9) . . . . ?
F36 C49 C50 F39 170.4(7) . . . . ?
C46 C49 C50 F39 -69.6(9) . . . . ?
F37 C49 C50 F38 179.1(6) . . . . ?
F36 C49 C50 F38 -66.2(8) . . . . ?
C46 C49 C50 F38 53.8(8) . . . . ?
F37 C49 C50 F40 -61.9(6) . . . . ?
F36 C49 C50 F40 52.7(7) . . . . ?
C46 C49 C50 F40 172.7(5) . . . . ?
C56 C51 C52 C53 0.3(11) . . . . ?
P2 C51 C52 C53 -176.8(6) . . . . ?
C51 C52 C53 C54 -1.6(11) . . . . ?
C52 C53 C54 C55 1.9(12) . . . . ?
C53 C54 C55 C56 -0.9(12) . . . . ?
C54 C55 C56 C51 -0.4(11) . . . . ?
C52 C51 C56 C55 0.7(10) . . . . ?
P2 C51 C56 C55 177.8(6) . . . . ?
C34 C35 O3 P2 -11.7(5) . . . . ?
C36 C35 O3 P2 -134.8(4) . . . . ?
C38 C35 O3 P2 105.2(4) . . . . ?
C45 C46 O4 P2 2.7(7) . . . . ?
C47 C46 O4 P2 125.6(5) . . . . ?
C49 C46 O4 P2 -113.3(5) . . . . ?
C46 O4 P2 O3 -179.7(5) . . . . ?
C46 O4 P2 C51 95.3(5) . . . . ?
C46 O4 P2 C29 -99.8(5) . . . . ?
C46 O4 P2 C40 -0.3(5) . . . . ?
C35 O3 P2 O4 134.6(4) . . . . ?
C35 O3 P2 C51 -108.1(4) . . . . ?
C35 O3 P2 C29 9.4(4) . . . . ?
C35 O3 P2 C40 131.7(14) . . . . ?
C52 C51 P2 O4 -159.4(5) . . . . ?
C56 C51 P2 O4 23.5(7) . . . . ?
C52 C51 P2 O3 120.6(6) . . . . ?
C56 C51 P2 O3 -56.5(6) . . . . ?
C52 C51 P2 C29 34.8(7) . . . . ?
C56 C51 P2 C29 -142.3(5) . . . . ?
C52 C51 P2 C40 -69.2(6) . . . . ?
C56 C51 P2 C40 113.7(6) . . . . ?
C34 C29 P2 O4 -81.2(4) . . . . ?
C30 C29 P2 O4 97.5(5) . . . . ?
C34 C29 P2 O3 -4.1(4) . . . . ?
C30 C29 P2 O3 174.6(5) . . . . ?
C34 C29 P2 C51 83.5(5) . . . . ?
C30 C29 P2 C51 -97.7(5) . . . . ?
C34 C29 P2 C40 -174.4(4) . . . . ?
C30 C29 P2 C40 4.3(5) . . . . ?
C45 C40 P2 O4 -2.6(6) . . . . ?
C41 C40 P2 O4 176.2(7) . . . . ?
C45 C40 P2 O3 0.2(18) . . . . ?
C41 C40 P2 O3 179(52) . . . . ?
C45 C40 P2 C51 -119.4(6) . . . . ?
C41 C40 P2 C51 59.4(7) . . . . ?
C45 C40 P2 C29 121.4(5) . . . . ?
C41 C40 P2 C29 -59.7(7) . . . . ?
