#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:36:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179853 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/49/7014948.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_7014948
loop_
_publ_author_name
'Capel, Victoria L.'
'Dillon, Keith B.'
'Goeta, Andrés E'
'Howard, Judith A. K.'
'Monks, Philippa K.'
'Probert, Michael R.'
'Shepherd, Helena J.'
'Zorina, Natalia V.'
_publ_section_title
;
 Stereochemically inactive lone pairs in phosphorus(iii) compounds: the
 characterisation of some derivatives with the 2,5-(CF(3))(2)C(6)H(3)
 (Ar) substituent and their complexation behaviour towards Pt(ii)
 species.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1808
_journal_page_last               1816
_journal_paper_doi               10.1039/c0dt01313g
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C24 H9 F18 P'
_chemical_formula_sum            'C24 H9 F18 P'
_chemical_formula_weight         670.28
_chemical_name_systematic
;
?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_date             2010-09-29
_audit_creation_method
;
Olex2 1.1-beta
(compiled 2010.09.10 svn.r1414, GUI svn.r3225)
;
_cell_angle_alpha                100.3820(10)
_cell_angle_beta                 93.6440(10)
_cell_angle_gamma                108.8960(10)
_cell_formula_units_Z            4
_cell_length_a                   9.9017(6)
_cell_length_b                   14.8952(9)
_cell_length_c                   18.3713(11)
_cell_measurement_reflns_used    7221
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.35
_cell_measurement_theta_min      2.33
_cell_volume                     2499.8(3)
_computing_cell_refinement       'SAINT v6.45A (Bruker, 2003)'
_computing_data_collection       'SMART v5.630 (Bruker, 2003)'
_computing_data_reduction        'SAINT v6.45A (Bruker, 2003)'
_computing_molecular_graphics
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector                 'CCD area detector'
_diffrn_detector_area_resol_mean 8
_diffrn_detector_type            'Bruker SMART CCD 1K area detector'
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_orient_matrix_UB_11      -0.006652
_diffrn_orient_matrix_UB_12      -0.069471
_diffrn_orient_matrix_UB_13      -0.008974
_diffrn_orient_matrix_UB_21      0.029979
_diffrn_orient_matrix_UB_22      0.007358
_diffrn_orient_matrix_UB_23      0.054199
_diffrn_orient_matrix_UB_31      -0.102902
_diffrn_orient_matrix_UB_32      -0.019229
_diffrn_orient_matrix_UB_33      0.008663
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0403
_diffrn_reflns_av_sigmaI/netI    0.0651
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            21478
_diffrn_reflns_theta_full        26.38
_diffrn_reflns_theta_max         26.38
_diffrn_reflns_theta_min         1.14
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_current           35.0
_diffrn_source_power             1.75
_diffrn_source_target            Mo
_diffrn_source_voltage           50.0
_exptl_absorpt_coefficient_mu    0.259
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_correction_T_min  0.82357
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS v.2.10 (Bruker,2003) was used for absorption correction.
R(int) was 0.0416 before and 0.0305 after correction.
The Ratio of minimum to maximum transmission is 0.823570.
The λ/2 correction factor is 0.0000
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   light
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.781
_exptl_crystal_description       block
_exptl_crystal_F_000             1320
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.640
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.067
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     775
_refine_ls_number_reflns         10178
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0820
_refine_ls_R_factor_gt           0.0507
_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)+(0.0420P)²+1.6620P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1052
_refine_ls_wR_factor_ref         0.1162
_reflns_number_gt                7127
_reflns_number_total             10178
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            C0DT01313G.TXT
_cod_data_source_block           ar3p
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7014948
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-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
P1 P 0.05970(8) 0.21907(5) 0.34120(4) 0.01748(16) Uani 1 1 d . . .
F7B3 F -0.04651(19) 0.37323(13) 0.31379(9) 0.0293(4) Uani 1 1 d . . .
F7B1 F -0.10671(18) 0.27589(12) 0.20570(10) 0.0300(4) Uani 1 1 d . . .
F7A3 F 0.05878(19) 0.08900(12) 0.20726(9) 0.0290(4) Uani 1 1 d . . .
F7B2 F -0.02115(18) 0.43013(12) 0.21425(9) 0.0286(4) Uani 1 1 d . . .
C1B C 0.1869(3) 0.2947(2) 0.28807(15) 0.0188(6) Uani 1 1 d . . .
F7C3 F -0.1026(2) 0.11626(13) 0.44961(11) 0.0407(5) Uani 1 1 d . . .
C1A C 0.1587(3) 0.14070(19) 0.36620(15) 0.0181(6) Uani 1 1 d . . .
F7A1 F -0.09121(19) -0.01936(13) 0.25358(11) 0.0386(5) Uani 1 1 d . . .
F7C1 F -0.2376(2) 0.19165(14) 0.41353(11) 0.0385(5) Uani 1 1 d . . .
F7C2 F -0.2079(2) 0.18542(15) 0.52872(11) 0.0469(5) Uani 1 1 d . . .
F7A2 F 0.0773(2) -0.05164(13) 0.19857(11) 0.0448(5) Uani 1 1 d . . .
C1C C 0.0882(3) 0.3063(2) 0.43128(15) 0.0197(6) Uani 1 1 d . . .
C2C C 0.2009(3) 0.3947(2) 0.44838(15) 0.0222(6) Uani 1 1 d . . .
H2C H 0.2703 0.4090 0.4149 0.027 Uiso 1 1 calc R . .
C6A C 0.1438(3) 0.0517(2) 0.31833(16) 0.0208(6) Uani 1 1 d . . .
C6B C 0.1426(3) 0.35329(19) 0.24645(15) 0.0193(6) Uani 1 1 d . . .
C2B C 0.3246(3) 0.2906(2) 0.28306(15) 0.0195(6) Uani 1 1 d . . .
H2B H 0.3572 0.2515 0.3104 0.023 Uiso 1 1 calc R . .
C7B C -0.0070(3) 0.3582(2) 0.24522(15) 0.0218(6) Uani 1 1 d . . .
C6C C -0.0121(3) 0.2877(2) 0.48264(16) 0.0223(6) Uani 1 1 d . . .
C5B C 0.2345(3) 0.4056(2) 0.20303(16) 0.0247(7) Uani 1 1 d . . .
H5B H 0.2032 0.4450 0.1755 0.030 Uiso 1 1 calc R . .
C5A C 0.2110(3) -0.0098(2) 0.33923(17) 0.0248(7) Uani 1 1 d . . .
H5A H 0.2021 -0.0683 0.3054 0.030 Uiso 1 1 calc R . .
C2A C 0.2406(3) 0.1620(2) 0.43521(15) 0.0211(6) Uani 1 1 d . . .
H2A H 0.2533 0.2216 0.4687 0.025 Uiso 1 1 calc R . .
C3A C 0.3046(3) 0.0992(2) 0.45696(16) 0.0228(6) Uani 1 1 d . . .
C3C C 0.2140(3) 0.4627(2) 0.51367(16) 0.0255(7) Uani 1 1 d . . .
C3B C 0.4151(3) 0.3423(2) 0.23916(16) 0.0216(6) Uani 1 1 d . . .
C4B C 0.3708(3) 0.4010(2) 0.19950(16) 0.0260(7) Uani 1 1 d . . .
H4B H 0.4337 0.4376 0.1702 0.031 Uiso 1 1 calc R . .
C4A C 0.2907(3) 0.0128(2) 0.40840(17) 0.0268(7) Uani 1 1 d . . .
H4A H 0.3354 -0.0301 0.4227 0.032 Uiso 1 1 calc R . .
C5C C 0.0040(4) 0.3561(2) 0.54791(17) 0.0307(8) Uani 1 1 d . . .
H5C H -0.0636 0.3423 0.5824 0.037 Uiso 1 1 calc R . .
C7C C -0.1404(4) 0.1953(2) 0.46841(18) 0.0310(8) Uani 1 1 d . . .
C8B C 0.5637(3) 0.3376(2) 0.23354(18) 0.0304(7) Uani 1 1 d . . .
C7A C 0.0481(3) 0.0175(2) 0.24427(17) 0.0264(7) Uani 1 1 d . . .
C4C C 0.1155(4) 0.4431(2) 0.56355(16) 0.0292(7) Uani 1 1 d . . .
H4C H 0.1247 0.4894 0.6082 0.035 Uiso 1 1 calc R . .
C8C C 0.3386(4) 0.5570(2) 0.53162(18) 0.0361(8) Uani 1 1 d . . .
C8A C 0.3852(4) 0.1259(2) 0.53364(18) 0.0330(8) Uani 1 1 d . . .
P2 P 0.38603(8) 0.78548(5) 0.15865(4) 0.01599(16) Uani 1 1 d . . .
F7F2 F 0.23756(19) 0.74777(12) 0.30679(10) 0.0308(4) Uani 1 1 d . . .
F7F1 F 0.16450(17) 0.63198(12) 0.20883(9) 0.0262(4) Uani 1 1 d . . .
F7E2 F 0.4292(2) 1.01333(13) 0.21852(10) 0.0355(5) Uani 1 1 d . . .
F7D1 F 0.08038(19) 0.79294(12) 0.09253(10) 0.0305(4) Uani 1 1 d . . .
F7F3 F 0.19326(18) 0.59956(12) 0.31701(9) 0.0286(4) Uani 1 1 d . . .
F7D3 F 0.26947(18) 0.87135(12) 0.04887(10) 0.0304(4) Uani 1 1 d . . .
F7E3 F 0.5448(2) 0.94600(12) 0.28122(9) 0.0337(4) Uani 1 1 d . . .
C2D C 0.3313(3) 0.60217(19) 0.05973(15) 0.0178(6) Uani 1 1 d . . .
H2D H 0.4000 0.5927 0.0932 0.021 Uiso 1 1 calc R . .
F7D2 F 0.07271(19) 0.79149(12) -0.02469(10) 0.0321(4) Uani 1 1 d . . .
F7E1 F 0.6485(2) 1.09074(12) 0.26599(10) 0.0415(5) Uani 1 1 d . . .
C1E C 0.5394(3) 0.86574(19) 0.12283(15) 0.0163(6) Uani 1 1 d . . .
C2F C 0.6222(3) 0.73467(19) 0.21290(14) 0.0169(6) Uani 1 1 d . . .
H2F H 0.6752 0.7705 0.1799 0.020 Uiso 1 1 calc R . .
C1D C 0.3024(3) 0.68894(19) 0.07395(15) 0.0153(6) Uani 1 1 d . . .
C3D C 0.2609(3) 0.5292(2) -0.00272(16) 0.0201(6) Uani 1 1 d . . .
C1F C 0.4778(3) 0.72490(19) 0.21435(14) 0.0167(6) Uani 1 1 d . . .
C4F C 0.6158(3) 0.6407(2) 0.30692(16) 0.0227(6) Uani 1 1 d . . .
H4F H 0.6627 0.6119 0.3377 0.027 Uiso 1 1 calc R . .
C6D C 0.1990(3) 0.6997(2) 0.02301(15) 0.0185(6) Uani 1 1 d . . .
C6F C 0.4041(3) 0.67268(19) 0.26546(15) 0.0195(6) Uani 1 1 d . . .
C3F C 0.6905(3) 0.6934(2) 0.25849(15) 0.0188(6) Uani 1 1 d . . .
C3E C 0.6980(3) 0.8987(2) 0.02849(15) 0.0190(6) Uani 1 1 d . . .
C2E C 0.5874(3) 0.8358(2) 0.05625(15) 0.0190(6) Uani 1 1 d . . .
H2E H 0.5433 0.7707 0.0292 0.023 Uiso 1 1 calc R . .
C5F C 0.4728(3) 0.6303(2) 0.31025(16) 0.0225(6) Uani 1 1 d . . .
H5F H 0.4211 0.5939 0.3433 0.027 Uiso 1 1 calc R . .
C6E C 0.6064(3) 0.96357(19) 0.16074(15) 0.0195(6) Uani 1 1 d . . .
C7F C 0.2507(3) 0.6633(2) 0.27441(16) 0.0227(7) Uani 1 1 d . . .
C7E C 0.5579(3) 1.0036(2) 0.23170(17) 0.0258(7) Uani 1 1 d . . .
C4E C 0.7643(3) 0.9940(2) 0.06704(17) 0.0242(7) Uani 1 1 d . . .
H4E H 0.8411 1.0369 0.0483 0.029 Uiso 1 1 calc R . .
C8E C 0.7424(3) 0.8659(2) -0.04511(17) 0.0270(7) Uani 1 1 d . . .
C8D C 0.2894(3) 0.4353(2) -0.01727(18) 0.0270(7) Uani 1 1 d . . .
C5E C 0.7177(3) 1.0259(2) 0.13299(17) 0.0241(7) Uani 1 1 d . . .
H5E H 0.7624 1.0912 0.1595 0.029 Uiso 1 1 calc R . .
C4D C 0.1610(3) 0.5415(2) -0.05244(16) 0.0239(7) Uani 1 1 d . . .
H4D H 0.1137 0.4918 -0.0952 0.029 Uiso 1 1 calc R . .
C5D C 0.1304(3) 0.6267(2) -0.03934(16) 0.0230(6) Uani 1 1 d . . .
H5D H 0.0617 0.6354 -0.0733 0.028 Uiso 1 1 calc R . .
C8F C 0.8480(3) 0.7073(2) 0.25828(17) 0.0260(7) Uani 1 1 d . . .
C7D C 0.1553(3) 0.7883(2) 0.03535(17) 0.0235(7) Uani 1 1 d . . .
F8D1 F 0.39307(18) 0.43255(11) 0.03151(9) 0.0275(4) Uani 1 1 d . . .
F8F1 F 0.90154(19) 0.74226(15) 0.20107(11) 0.0410(5) Uani 1 1 d . . .
F8B3 F 0.66599(19) 0.42109(14) 0.26676(12) 0.0430(5) Uani 1 1 d . . .
F8D3 F 0.3294(2) 0.41687(14) -0.08528(10) 0.0416(5) Uani 1 1 d . . .
F8A1 F 0.3050(2) 0.14439(16) 0.58619(10) 0.0453(5) Uani 1 1 d . . .
F8C3 F 0.4056(3) 0.57704(15) 0.47337(11) 0.0778(9) Uani 1 1 d . . .
F8E1 F 0.7270(2) 0.77174(13) -0.05883(11) 0.0447(5) Uani 1 1 d . . .
F8F2 F 0.9271(2) 0.76806(17) 0.31973(11) 0.0526(6) Uani 1 1 d . . .
F8D2 F 0.1717(2) 0.36046(13) -0.01560(15) 0.0564(7) Uani 1 1 d . . .
F8E2 F 0.6639(2) 0.87769(16) -0.10184(10) 0.0480(5) Uani 1 1 d . . .
F8B2 F 0.5889(2) 0.32056(18) 0.16291(11) 0.0571(6) Uani 1 1 d . . .
F8F3 F 0.8727(2) 0.62395(15) 0.25597(14) 0.0525(6) Uani 1 1 d . . .
F8B1 F 0.5873(2) 0.26989(15) 0.26475(14) 0.0521(6) Uani 1 1 d . . .
F8C2 F 0.4394(2) 0.55608(17) 0.58185(13) 0.0599(6) Uani 1 1 d . . .
F8E3 F 0.8797(2) 0.91360(15) -0.04999(11) 0.0499(6) Uani 1 1 d . . .
F8A2 F 0.4310(3) 0.05658(17) 0.55044(11) 0.0571(7) Uani 1 1 d . . .
F8A3 F 0.5010(2) 0.20649(17) 0.54329(12) 0.0567(6) Uani 1 1 d . . .
F8C1 F 0.2988(3) 0.63026(15) 0.56119(16) 0.0782(8) 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'
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
F7B3 C7B F7B1 106.6(2) . . ?
F7B3 C7B C6B 112.8(2) . . ?
F7B1 C7B C6B 112.0(2) . . ?
F7A3 C7A F7A1 106.5(2) . . ?
F7A3 C7A C6A 113.0(2) . . ?
F7B2 C7B F7B3 106.1(2) . . ?
F7B2 C7B F7B1 106.2(2) . . ?
F7B2 C7B C6B 112.6(2) . . ?
C1B C6B C7B 121.3(2) . . ?
F7C3 C7C C6C 111.9(3) . . ?
C1A P1 C1B 101.51(12) . . ?
C1A P1 C1C 101.08(12) . . ?
C1A C6A C7A 121.4(3) . . ?
C1A C2A C3A 122.1(3) . . ?
F7A1 C7A C6A 111.1(2) . . ?
F7C1 C7C F7C3 107.0(3) . . ?
F7C1 C7C F7C2 106.8(3) . . ?
F7C1 C7C C6C 112.2(3) . . ?
F7C2 C7C F7C3 106.6(3) . . ?
F7C2 C7C C6C 111.8(3) . . ?
F7A2 C7A F7A3 106.5(2) . . ?
F7A2 C7A F7A1 106.8(2) . . ?
F7A2 C7A C6A 112.6(2) . . ?
C1C P1 C1B 100.91(13) . . ?
C1C C2C C3C 121.2(3) . . ?
C1C C6C C7C 121.8(3) . . ?
C2C C1C P1 122.0(2) . . ?
C2C C1C C6C 117.6(3) . . ?
C2C C3C C8C 120.2(3) . . ?
C6A C1A P1 121.2(2) . . ?
C6B C1B P1 120.4(2) . . ?
C2B C1B P1 121.9(2) . . ?
C2B C1B C6B 117.5(3) . . ?
C2B C3B C4B 120.4(3) . . ?
C2B C3B C8B 121.5(3) . . ?
C6C C1C P1 120.2(2) . . ?
C5B C6B C1B 120.7(3) . . ?
C5B C6B C7B 117.9(3) . . ?
C5B C4B C3B 119.3(3) . . ?
C5A C6A C1A 121.0(3) . . ?
C5A C6A C7A 117.5(3) . . ?
C5A C4A C3A 119.0(3) . . ?
C2A C1A P1 121.8(2) . . ?
C2A C1A C6A 116.8(3) . . ?
C2A C3A C8A 118.5(3) . . ?
C3B C2B C1B 121.5(3) . . ?
C4B C5B C6B 120.7(3) . . ?
C4B C3B C8B 118.1(3) . . ?
C4A C5A C6A 120.9(3) . . ?
C4A C3A C2A 120.1(3) . . ?
C4A C3A C8A 121.5(3) . . ?
C5C C6C C1C 120.2(3) . . ?
C5C C6C C7C 118.0(3) . . ?
C5C C4C C3C 119.2(3) . . ?
C4C C3C C2C 120.4(3) . . ?
C4C C3C C8C 119.3(3) . . ?
C4C C5C C6C 121.3(3) . . ?
F7F2 C7F F7F1 106.8(2) . . ?
F7F2 C7F F7F3 106.5(2) . . ?
F7F2 C7F C6F 112.4(2) . . ?
F7F1 C7F F7F3 106.2(2) . . ?
F7F1 C7F C6F 112.5(2) . . ?
F7E2 C7E F7E3 106.7(2) . . ?
F7E2 C7E C6E 111.6(2) . . ?
F7D1 C7D F7D3 106.9(2) . . ?
F7D1 C7D F7D2 106.6(2) . . ?
F7D1 C7D C6D 112.5(2) . . ?
F7F3 C7F C6F 112.1(2) . . ?
F7D3 C7D F7D2 105.8(2) . . ?
F7D3 C7D C6D 112.4(2) . . ?
F7E3 C7E C6E 112.4(2) . . ?
C2D C1D P2 122.8(2) . . ?
C2D C1D C6D 117.5(2) . . ?
C2D C3D C8D 121.2(3) . . ?
F7D2 C7D C6D 112.2(2) . . ?
F7E1 C7E F7E2 106.6(2) . . ?
F7E1 C7E F7E3 106.8(2) . . ?
F7E1 C7E C6E 112.4(3) . . ?
C1E P2 C1D 100.86(12) . . ?
C1E P2 C1F 101.29(12) . . ?
C1E C6E C7E 121.3(3) . . ?
C2F C1F P2 122.7(2) . . ?
C2F C1F C6F 117.2(3) . . ?
C2F C3F C8F 121.0(3) . . ?
C1D C6D C7D 121.5(2) . . ?
C3D C2D C1D 121.1(3) . . ?
C1F P2 C1D 101.93(12) . . ?
C1F C6F C7F 121.2(3) . . ?
C4F C3F C2F 120.4(3) . . ?
C4F C3F C8F 118.6(3) . . ?
C4F C5F C6F 120.3(3) . . ?
C6D C1D P2 119.6(2) . . ?
C6F C1F P2 119.9(2) . . ?
C3F C2F C1F 121.5(3) . . ?
C3E C2E C1E 121.5(3) . . ?
C2E C1E P2 122.5(2) . . ?
C2E C1E C6E 117.4(2) . . ?
C2E C3E C4E 120.3(3) . . ?
C2E C3E C8E 120.3(3) . . ?
C5F C4F C3F 119.6(3) . . ?
C5F C6F C1F 120.9(3) . . ?
C5F C6F C7F 117.9(2) . . ?
C6E C1E P2 119.9(2) . . ?
C4E C3E C8E 119.4(3) . . ?
C4E C5E C6E 120.6(3) . . ?
C5E C6E C1E 120.7(3) . . ?
C5E C6E C7E 118.0(2) . . ?
C5E C4E C3E 119.4(3) . . ?
C4D C3D C2D 120.6(3) . . ?
C4D C3D C8D 118.2(3) . . ?
C4D C5D C6D 120.8(3) . . ?
C5D C6D C1D 120.7(3) . . ?
C5D C6D C7D 117.7(3) . . ?
C5D C4D C3D 119.3(3) . . ?
F8D1 C8D C3D 113.7(2) . . ?
F8D1 C8D F8D3 106.5(2) . . ?
F8F1 C8F C3F 113.2(2) . . ?
F8F1 C8F F8F2 106.8(3) . . ?
F8F1 C8F F8F3 106.9(2) . . ?
F8B3 C8B C3B 112.0(3) . . ?
F8D3 C8D C3D 111.5(3) . . ?
F8A1 C8A C3A 112.1(3) . . ?
F8A1 C8A F8A3 105.6(3) . . ?
F8C3 C8C C3C 113.3(3) . . ?
F8E1 C8E C3E 112.6(2) . . ?
F8F2 C8F C3F 111.8(2) . . ?
F8F2 C8F F8F3 106.1(3) . . ?
F8D2 C8D C3D 111.5(2) . . ?
F8D2 C8D F8D1 107.1(3) . . ?
F8D2 C8D F8D3 106.1(2) . . ?
F8E2 C8E C3E 112.0(3) . . ?
F8E2 C8E F8E1 105.9(3) . . ?
F8E2 C8E F8E3 106.9(2) . . ?
F8B2 C8B C3B 111.9(3) . . ?
F8B2 C8B F8B3 105.7(3) . . ?
F8F3 C8F C3F 111.6(2) . . ?
F8B1 C8B C3B 113.0(3) . . ?
F8B1 C8B F8B3 106.3(3) . . ?
F8B1 C8B F8B2 107.5(3) . . ?
F8C2 C8C C3C 111.9(3) . . ?
F8C2 C8C F8C3 104.8(3) . . ?
F8E3 C8E C3E 112.7(3) . . ?
F8E3 C8E F8E1 106.3(3) . . ?
F8A2 C8A C3A 113.0(3) . . ?
F8A2 C8A F8A1 106.4(3) . . ?
F8A2 C8A F8A3 107.0(3) . . ?
F8A3 C8A C3A 112.2(3) . . ?
F8C1 C8C C3C 111.7(3) . . ?
F8C1 C8C F8C3 109.5(3) . . ?
F8C1 C8C F8C2 105.1(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
P1 C1B 1.855(3) . ?
P1 C1A 1.847(3) . ?
P1 C1C 1.854(3) . ?
F7B3 C7B 1.344(3) . ?
F7B1 C7B 1.345(3) . ?
F7A3 C7A 1.344(3) . ?
F7B2 C7B 1.340(3) . ?
C1B C6B 1.409(4) . ?
C1B C2B 1.392(4) . ?
F7C3 C7C 1.341(4) . ?
C1A C6A 1.411(4) . ?
C1A C2A 1.387(4) . ?
F7A1 C7A 1.344(3) . ?
F7C1 C7C 1.330(4) . ?
F7C2 C7C 1.336(3) . ?
F7A2 C7A 1.327(3) . ?
C1C C2C 1.390(4) . ?
C1C C6C 1.410(4) . ?
C2C C3C 1.392(4) . ?
C6A C5A 1.385(4) . ?
C6A C7A 1.511(4) . ?
C6B C7B 1.507(4) . ?
C6B C5B 1.389(4) . ?
C2B C3B 1.383(4) . ?
C6C C5C 1.389(4) . ?
C6C C7C 1.508(4) . ?
C5B C4B 1.378(4) . ?
C5A C4A 1.377(4) . ?
C2A C3A 1.388(4) . ?
C3A C4A 1.387(4) . ?
C3A C8A 1.493(4) . ?
C3C C4C 1.379(4) . ?
C3C C8C 1.504(4) . ?
C3B C4B 1.387(4) . ?
C3B C8B 1.505(4) . ?
C5C C4C 1.371(5) . ?
C8B F8B3 1.333(4) . ?
C8B F8B2 1.332(4) . ?
C8B F8B1 1.321(4) . ?
C8C F8C3 1.324(4) . ?
C8C F8C2 1.320(4) . ?
C8C F8C1 1.317(4) . ?
C8A F8A1 1.335(4) . ?
C8A F8A2 1.330(4) . ?
C8A F8A3 1.339(4) . ?
P2 C1E 1.845(3) . ?
P2 C1D 1.853(3) . ?
P2 C1F 1.853(3) . ?
F7F2 C7F 1.341(3) . ?
F7F1 C7F 1.344(3) . ?
F7E2 C7E 1.340(4) . ?
F7D1 C7D 1.329(3) . ?
F7F3 C7F 1.346(3) . ?
F7D3 C7D 1.348(3) . ?
F7E3 C7E 1.344(3) . ?
C2D C1D 1.395(4) . ?
C2D C3D 1.393(4) . ?
F7D2 C7D 1.348(3) . ?
F7E1 C7E 1.329(3) . ?
C1E C2E 1.391(4) . ?
C1E C6E 1.413(4) . ?
C2F C1F 1.392(4) . ?
C2F C3F 1.386(4) . ?
C1D C6D 1.410(4) . ?
C3D C8D 1.496(4) . ?
C3D C4D 1.382(4) . ?
C1F C6F 1.415(4) . ?
C4F C3F 1.383(4) . ?
C4F C5F 1.380(4) . ?
C6D C5D 1.389(4) . ?
C6D C7D 1.501(4) . ?
C6F C5F 1.390(4) . ?
C6F C7F 1.503(4) . ?
C3F C8F 1.505(4) . ?
C3E C2E 1.384(4) . ?
C3E C4E 1.386(4) . ?
C3E C8E 1.496(4) . ?
C6E C7E 1.507(4) . ?
C6E C5E 1.384(4) . ?
C4E C5E 1.383(4) . ?
C8E F8E1 1.335(4) . ?
C8E F8E2 1.332(4) . ?
C8E F8E3 1.332(3) . ?
C8D F8D1 1.335(3) . ?
C8D F8D3 1.343(3) . ?
C8D F8D2 1.333(3) . ?
C4D C5D 1.381(4) . ?
C8F F8F1 1.322(3) . ?
C8F F8F2 1.330(4) . ?
C8F F8F3 1.335(3) . ?
