#------------------------------------------------------------------------------
#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/72/7117289.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_7117289
loop_
_publ_author_name
'Heidi Schneider'
'David Schmidt'
'Udo Radius'
_publ_section_title
;
 The reductive P-P coupling of primary and secondary phosphines mediated
 by N-heterocyclic carbenes
;
_journal_name_full               Chem.Commun.
_journal_page_first              10138
_journal_paper_doi               10.1039/C5cc02517F
_journal_volume                  51
_journal_year                    2015
_chemical_formula_sum            'C60 H51 P10'
_chemical_formula_weight         1081.71
_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
_audit_update_record
;
2015-03-25 deposited with the CCDC.
2015-05-26 downloaded from the CCDC.
;
_cell_angle_alpha                90.19(3)
_cell_angle_beta                 93.99(3)
_cell_angle_gamma                93.20(3)
_cell_formula_units_Z            2
_cell_length_a                   10.102(2)
_cell_length_b                   13.842(3)
_cell_length_c                   19.518(4)
_cell_measurement_reflns_used    9979
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.3975
_cell_measurement_theta_min      2.3425
_cell_volume                     2718.3(10)
_computing_cell_refinement       'Saint-NT v. 7.23'
_computing_data_collection       'Smart-NT v. 5.63'
_computing_data_reduction        'Saint-NT v. 7.23'
_computing_molecular_graphics    'XP in ShelxTL-97'
_computing_publication_material  'XP in ShelxTL-97'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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    0.0431
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            11007
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         1.05
_exptl_absorpt_coefficient_mu    0.355
_exptl_absorpt_correction_T_max  0.745321
_exptl_absorpt_correction_T_min  0.612855
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'TwinAbs-2008/3 (Bruker, 2008)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1122
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.704
_refine_diff_density_min         -0.738
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     669
_refine_ls_number_reflns         11007
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0673
_refine_ls_R_factor_gt           0.0589
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0380P)²+3.2001P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1279
_refine_ls_wR_factor_ref         0.1375
_reflns_number_gt                9868
_reflns_number_total             11007
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc02517f2.cif
_cod_data_source_block           compound_5
_cod_original_cell_volume        2718.4(9)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7117289
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
P1 P 0.78274(9) 0.27975(6) 0.15982(4) 0.02736(19) Uani 1 1 d . . .
P2 P 0.95782(9) 0.33511(6) 0.10648(5) 0.0286(2) Uani 1 1 d . . .
P3 P 0.85561(9) 0.39854(7) 0.01507(5) 0.0299(2) Uani 1 1 d . . .
P4 P 0.74421(9) 0.26298(6) -0.01753(4) 0.02771(19) Uani 1 1 d . . .
P5 P 0.71919(9) 0.17395(6) 0.07675(4) 0.02737(19) Uani 1 1 d . . .
P6 P 0.23755(14) 0.24068(14) 0.49725(6) 0.0757(5) Uani 1 1 d . . .
P7 P 0.36217(14) 0.37236(12) 0.52338(6) 0.0647(4) Uani 1 1 d . C .
P8 P 0.47333(11) 0.32041(9) 0.61703(5) 0.0431(3) Uani 1 1 d . . .
P9 P 0.30539(10) 0.26199(8) 0.67449(5) 0.0366(2) Uani 1 1 d . C .
P10 P 0.22886(13) 0.15621(10) 0.59332(6) 0.0583(4) Uani 1 1 d . C .
C11 C 0.8675(4) 0.2008(3) 0.22238(18) 0.0352(8) Uani 1 1 d . . .
C12 C 0.9683(5) 0.1418(3) 0.2083(2) 0.0561(12) Uani 1 1 d . . .
H12A H 0.9969 0.1395 0.1630 0.067 Uiso 1 1 calc R . .
C13 C 1.0283(6) 0.0859(4) 0.2589(3) 0.0732(16) Uani 1 1 d . . .
H13A H 1.0990 0.0471 0.2485 0.088 Uiso 1 1 calc R . .
C14 C 0.9863(7) 0.0865(4) 0.3238(3) 0.090(2) Uani 1 1 d . . .
H14A H 1.0272 0.0479 0.3584 0.108 Uiso 1 1 calc R . .
C15 C 0.8853(8) 0.1427(5) 0.3387(3) 0.106(3) Uani 1 1 d . . .
H15A H 0.8558 0.1431 0.3838 0.127 Uiso 1 1 calc R . .
C16 C 0.8246(6) 0.1998(4) 0.2875(2) 0.0738(17) Uani 1 1 d . . .
H16A H 0.7533 0.2380 0.2981 0.089 Uiso 1 1 calc R . .
C21 C 1.0162(3) 0.4418(2) 0.15919(18) 0.0298(7) Uani 1 1 d . . .
C22 C 0.9362(4) 0.4942(3) 0.1992(2) 0.0377(8) Uani 1 1 d . . .
H22A H 0.8439 0.4768 0.1996 0.045 Uiso 1 1 calc R . .
C23 C 0.9915(4) 0.5721(3) 0.2386(2) 0.0438(10) Uani 1 1 d . . .
H23A H 0.9369 0.6079 0.2658 0.053 Uiso 1 1 calc R . .
C24 C 1.1244(4) 0.5974(3) 0.2382(2) 0.0480(10) Uani 1 1 d . . .
H24A H 1.1617 0.6499 0.2659 0.058 Uiso 1 1 calc R . .
C25 C 1.2050(4) 0.5471(3) 0.1976(2) 0.0497(11) Uani 1 1 d . . .
H25A H 1.2967 0.5659 0.1965 0.060 Uiso 1 1 calc R . .
C26 C 1.1503(4) 0.4692(3) 0.1589(2) 0.0398(9) Uani 1 1 d . . .
H26A H 1.2054 0.4339 0.1315 0.048 Uiso 1 1 calc R . .
C31 C 0.7273(3) 0.4723(3) 0.04658(17) 0.0304(7) Uani 1 1 d . . .
C32 C 0.6051(3) 0.4373(3) 0.06729(18) 0.0330(8) Uani 1 1 d . . .
H32A H 0.5808 0.3701 0.0636 0.040 Uiso 1 1 calc R . .
C33 C 0.5176(4) 0.5002(3) 0.0934(2) 0.0403(9) Uani 1 1 d . . .
H33A H 0.4345 0.4758 0.1081 0.048 Uiso 1 1 calc R . .
C34 C 0.5518(4) 0.5978(3) 0.0980(2) 0.0439(10) Uani 1 1 d . . .
H34A H 0.4926 0.6405 0.1162 0.053 Uiso 1 1 calc R . .
C35 C 0.6707(5) 0.6336(3) 0.0763(2) 0.0509(11) Uani 1 1 d . . .
H35A H 0.6931 0.7011 0.0790 0.061 Uiso 1 1 calc R . .
C36 C 0.7591(4) 0.5714(3) 0.0503(2) 0.0430(9) Uani 1 1 d . . .
H36A H 0.8412 0.5967 0.0350 0.052 Uiso 1 1 calc R . .
C41 C 0.8782(3) 0.2017(2) -0.05664(17) 0.0286(7) Uani 1 1 d . . .
C42 C 0.9605(4) 0.2518(3) -0.10054(19) 0.0403(9) Uani 1 1 d . . .
H42A H 0.9549 0.3197 -0.1056 0.048 Uiso 1 1 calc R . .
C43 C 1.0503(4) 0.2039(3) -0.1369(2) 0.0463(10) Uani 1 1 d . . .
H43A H 1.1060 0.2393 -0.1663 0.056 Uiso 1 1 calc R . .
C44 C 1.0592(4) 0.1060(3) -0.1306(2) 0.0456(10) Uani 1 1 d . . .
H44A H 1.1208 0.0732 -0.1555 0.055 Uiso 1 1 calc R . .
C45 C 0.9786(5) 0.0559(3) -0.0881(2) 0.0572(13) Uani 1 1 d . . .
H45A H 0.9853 -0.0120 -0.0833 0.069 Uiso 1 1 calc R . .
C46 C 0.8867(4) 0.1028(3) -0.0519(2) 0.0474(10) Uani 1 1 d . . .
H46A H 0.8296 0.0665 -0.0237 0.057 Uiso 1 1 calc R . .
C51 C 0.5361(3) 0.1722(2) 0.07412(18) 0.0302(7) Uani 1 1 d . . .
C52 C 0.4630(4) 0.2071(3) 0.1256(2) 0.0425(9) Uani 1 1 d . . .
H52A H 0.5074 0.2349 0.1661 0.051 Uiso 1 1 calc R . .
C53 C 0.3249(4) 0.2012(3) 0.1180(3) 0.0575(12) Uani 1 1 d . . .
H53A H 0.2756 0.2257 0.1533 0.069 Uiso 1 1 calc R . .
C54 C 0.2586(4) 0.1604(3) 0.0600(3) 0.0575(13) Uani 1 1 d . . .
H54A H 0.1642 0.1575 0.0550 0.069 Uiso 1 1 calc R . .
C55 C 0.3297(4) 0.1243(3) 0.0096(2) 0.0500(11) Uani 1 1 d . . .
H55A H 0.2845 0.0956 -0.0303 0.060 Uiso 1 1 calc R . .
C56 C 0.4680(4) 0.1293(3) 0.0165(2) 0.0403(9) Uani 1 1 d . . .
H56A H 0.5164 0.1031 -0.0185 0.048 Uiso 1 1 calc R . .
C62 C 0.3297(7) 0.1563(4) 0.3851(3) 0.0740(16) Uani 1 1 d . . .
H62A H 0.2395 0.1601 0.3685 0.089 Uiso 1 1 calc R A 1
C63 C 0.4134(10) 0.1067(5) 0.3464(4) 0.097(3) Uani 1 1 d . C .
H63A H 0.3749 0.0747 0.3060 0.117 Uiso 1 1 calc R B 1
C61A C 0.3691(13) 0.1978(8) 0.4429(6) 0.045(3) Uani 0.489(7) 1 d P C 1
H61A H 0.3110 0.2274 0.4718 0.054 Uiso 0.489(7) 1 calc PR C 1
C64A C 0.5224(17) 0.1009(12) 0.3583(7) 0.074(4) Uani 0.489(7) 1 d P C 1
H64A H 0.5729 0.0660 0.3283 0.088 Uiso 0.489(7) 1 calc PR C 1
C65A C 0.5812(12) 0.1430(10) 0.4147(6) 0.078(4) Uani 0.489(7) 1 d P C 1
H65A H 0.6738 0.1384 0.4255 0.093 Uiso 0.489(7) 1 calc PR C 1
C66A C 0.5039(11) 0.1947(8) 0.4584(5) 0.064(3) Uani 0.489(7) 1 d P C 1
H66A H 0.5446 0.2270 0.4981 0.077 Uiso 0.489(7) 1 calc PR C 1
C61B C 0.3519(10) 0.1553(8) 0.4570(5) 0.038(2) Uani 0.511(7) 1 d P C 2
H61B H 0.3032 0.1967 0.4834 0.046 Uiso 0.511(7) 1 calc PR C 2
C64B C 0.5219(11) 0.0506(9) 0.3845(8) 0.066(3) Uani 0.511(7) 1 d P C 2
H64B H 0.5864 0.0207 0.3598 0.079 Uiso 0.511(7) 1 calc PR C 2
C65B C 0.5253(8) 0.0440(7) 0.4538(5) 0.057(3) Uani 0.511(7) 1 d P C 2
H65B H 0.5856 0.0028 0.4770 0.069 Uiso 0.511(7) 1 calc PR C 2
C66B C 0.4420(8) 0.0964(7) 0.4916(5) 0.055(3) Uani 0.511(7) 1 d P C 2
H66B H 0.4463 0.0922 0.5402 0.067 Uiso 0.511(7) 1 calc PR C 2
C71 C 0.2406(5) 0.4545(4) 0.5526(2) 0.0626(15) Uani 1 1 d . . .
C72 C 0.1143(5) 0.4264(5) 0.5722(2) 0.0676(16) Uani 1 1 d . C .
H72A H 0.0849 0.3600 0.5720 0.081 Uiso 1 1 calc R . .
C73 C 0.0306(6) 0.4982(5) 0.5925(3) 0.0752(18) Uani 1 1 d . . .
H73A H -0.0551 0.4797 0.6069 0.090 Uiso 1 1 calc R C .
C74 C 0.0715(7) 0.5932(5) 0.5916(3) 0.084(2) Uani 1 1 d . C .
H74A H 0.0136 0.6407 0.6048 0.101 Uiso 1 1 calc R . .
C75 C 0.1955(6) 0.6214(5) 0.5720(3) 0.0836(19) Uani 1 1 d . . .
H75A H 0.2233 0.6881 0.5715 0.100 Uiso 1 1 calc R C .
C76 C 0.2806(6) 0.5518(5) 0.5526(3) 0.0762(18) Uani 1 1 d . C .
H76A H 0.3667 0.5713 0.5394 0.091 Uiso 1 1 calc R . .
C81 C 0.5165(4) 0.4383(3) 0.6579(2) 0.0422(10) Uani 1 1 d . C .
C82 C 0.4418(4) 0.4833(3) 0.7052(2) 0.0498(11) Uani 1 1 d . . .
H82A H 0.3633 0.4510 0.7197 0.060 Uiso 1 1 calc R C .
C83 C 0.4810(5) 0.5742(3) 0.7312(3) 0.0589(12) Uani 1 1 d . C .
H83A H 0.4305 0.6034 0.7641 0.071 Uiso 1 1 calc R . .
C84 C 0.5929(6) 0.6223(4) 0.7094(3) 0.0682(14) Uani 1 1 d . . .
H84A H 0.6181 0.6857 0.7260 0.082 Uiso 1 1 calc R C .
C85 C 0.6686(6) 0.5786(4) 0.6635(3) 0.0678(14) Uani 1 1 d . C .
H85A H 0.7466 0.6117 0.6489 0.081 Uiso 1 1 calc R . .
C86 C 0.6316(5) 0.4871(4) 0.6385(2) 0.0546(12) Uani 1 1 d . . .
H86A H 0.6855 0.4570 0.6077 0.066 Uiso 1 1 calc R C .
C91 C 0.3973(4) 0.1807(3) 0.73253(18) 0.0348(8) Uani 1 1 d . . .
C92 C 0.3396(4) 0.0916(3) 0.7523(2) 0.0418(9) Uani 1 1 d . C .
H92A H 0.2535 0.0707 0.7334 0.050 Uiso 1 1 calc R . .
C93 C 0.4070(5) 0.0336(3) 0.7992(2) 0.0488(10) Uani 1 1 d . . .
H93A H 0.3665 -0.0266 0.8120 0.059 Uiso 1 1 calc R C .
C94 C 0.5314(5) 0.0621(3) 0.8273(2) 0.0492(11) Uani 1 1 d . C .
H94A H 0.5769 0.0214 0.8589 0.059 Uiso 1 1 calc R . .
C95 C 0.5900(5) 0.1498(3) 0.8096(2) 0.0522(11) Uani 1 1 d . . .
H95A H 0.6759 0.1699 0.8292 0.063 Uiso 1 1 calc R C .
C96 C 0.5231(4) 0.2089(3) 0.7628(2) 0.0459(10) Uani 1 1 d . C .
H96A H 0.5638 0.2697 0.7513 0.055 Uiso 1 1 calc R . .
C101 C 0.0492(5) 0.1547(3) 0.6040(3) 0.0605(13) Uani 1 1 d . . .
C102 C -0.0388(8) 0.1228(6) 0.5493(4) 0.112(3) Uani 1 1 d . C .
H10A H -0.0060 0.1085 0.5062 0.135 Uiso 1 1 calc R . .
C103 C -0.1737(10) 0.1121(9) 0.5575(6) 0.171(6) Uani 1 1 d . . .
H10B H -0.2326 0.0946 0.5188 0.205 Uiso 1 1 calc R C .
C104 C -0.2228(7) 0.1254(6) 0.6174(7) 0.143(5) Uani 1 1 d . C .
H10C H -0.3155 0.1142 0.6217 0.171 Uiso 1 1 calc R . .
C105 C -0.1389(6) 0.1562(4) 0.6754(4) 0.095(2) Uani 1 1 d . . .
H105 H -0.1737 0.1674 0.7185 0.114 Uiso 1 1 calc R C .
C106 C -0.0042(5) 0.1695(4) 0.6668(3) 0.0670(15) Uani 1 1 d . C .
H10F H 0.0539 0.1894 0.7053 0.080 Uiso 1 1 calc R . .
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'
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
C11 P1 P2 98.72(13) . .
C11 P1 P5 100.53(12) . .
P2 P1 P5 92.87(5) . .
C21 P2 P3 103.34(12) . .
C21 P2 P1 102.05(12) . .
P3 P2 P1 99.58(5) . .
C31 P3 P4 103.24(12) . .
C31 P3 P2 106.48(12) . .
P4 P3 P2 94.74(5) . .
C41 P4 P3 99.01(12) . .
C41 P4 P5 101.25(12) . .
P3 P4 P5 107.28(5) . .
C51 P5 P1 103.31(12) . .
C51 P5 P4 97.10(12) . .
P1 P5 P4 101.91(5) . .
C61A P6 C61B 20.4(3) . .
C61A P6 P7 89.9(4) . .
C61B P6 P7 105.3(3) . .
C61A P6 P10 111.2(3) . .
C61B P6 P10 93.7(4) . .
P7 P6 P10 106.29(7) . .
C71 P7 P6 102.2(2) . .
C71 P7 P8 106.65(15) . .
P6 P7 P8 98.99(8) . .
C81 P8 P9 103.34(14) . .
C81 P8 P7 97.97(13) . .
P9 P8 P7 99.89(7) . .
C91 P9 P8 98.59(13) . .
C91 P9 P10 99.48(13) . .
P8 P9 P10 94.90(7) . .
C101 P10 P6 99.80(17) . .
C101 P10 P9 100.80(17) . .
P6 P10 P9 103.54(8) . .
C16 C11 C12 118.2(4) . .
C16 C11 P1 116.7(3) . .
C12 C11 P1 125.1(3) . .
C11 C12 C13 121.2(5) . .
C11 C12 H12A 119.4 . .
C13 C12 H12A 119.4 . .
C14 C13 C12 120.1(5) . .
C14 C13 H13A 119.9 . .
C12 C13 H13A 119.9 . .
C13 C14 C15 119.8(5) . .
C13 C14 H14A 120.1 . .
C15 C14 H14A 120.1 . .
C14 C15 C16 120.3(5) . .
C14 C15 H15A 119.9 . .
C16 C15 H15A 119.9 . .
C11 C16 C15 120.4(5) . .
C11 C16 H16A 119.8 . .
C15 C16 H16A 119.8 . .
C26 C21 C22 119.0(3) . .
C26 C21 P2 116.3(3) . .
C22 C21 P2 124.7(3) . .
C23 C22 C21 119.9(4) . .
C23 C22 H22A 120.1 . .
C21 C22 H22A 120.1 . .
C24 C23 C22 120.2(4) . .
C24 C23 H23A 119.9 . .
C22 C23 H23A 119.9 . .
C23 C24 C25 120.6(4) . .
C23 C24 H24A 119.7 . .
C25 C24 H24A 119.7 . .
C26 C25 C24 119.2(4) . .
C26 C25 H25A 120.4 . .
C24 C25 H25A 120.4 . .
C25 C26 C21 121.0(4) . .
C25 C26 H26A 119.5 . .
C21 C26 H26A 119.5 . .
C32 C31 C36 118.9(3) . .
C32 C31 P3 125.6(3) . .
C36 C31 P3 115.5(3) . .
C31 C32 C33 120.4(3) . .
C31 C32 H32A 119.8 . .
C33 C32 H32A 119.8 . .
C34 C33 C32 119.9(4) . .
C34 C33 H33A 120.1 . .
C32 C33 H33A 120.1 . .
C35 C34 C33 120.3(4) . .
C35 C34 H34A 119.8 . .
C33 C34 H34A 119.8 . .
C34 C35 C36 120.3(4) . .
C34 C35 H35A 119.9 . .
C36 C35 H35A 119.9 . .
C31 C36 C35 120.2(4) . .
C31 C36 H36A 119.9 . .
C35 C36 H36A 119.9 . .
C46 C41 C42 117.9(3) . .
C46 C41 P4 120.9(3) . .
C42 C41 P4 120.4(3) . .
C43 C42 C41 121.0(4) . .
C43 C42 H42A 119.5 . .
C41 C42 H42A 119.5 . .
C44 C43 C42 120.4(4) . .
C44 C43 H43A 119.8 . .
C42 C43 H43A 119.8 . .
C45 C44 C43 119.4(4) . .
C45 C44 H44A 120.3 . .
C43 C44 H44A 120.3 . .
C44 C45 C46 120.9(4) . .
C44 C45 H45A 119.5 . .
C46 C45 H45A 119.5 . .
C41 C46 C45 120.4(4) . .
C41 C46 H46A 119.8 . .
C45 C46 H46A 119.8 . .
C52 C51 C56 118.5(4) . .
C52 C51 P5 125.2(3) . .
C56 C51 P5 116.2(3) . .
C51 C52 C53 120.0(4) . .
C51 C52 H52A 120.0 . .
C53 C52 H52A 120.0 . .
C54 C53 C52 120.9(4) . .
C54 C53 H53A 119.5 . .
C52 C53 H53A 119.5 . .
C55 C54 C53 119.4(4) . .
C55 C54 H54A 120.3 . .
C53 C54 H54A 120.3 . .
C54 C55 C56 120.4(4) . .
C54 C55 H55A 119.8 . .
C56 C55 H55A 119.8 . .
C51 C56 C55 120.7(4) . .
C51 C56 H56A 119.7 . .
C55 C56 H56A 119.7 . .
C61A C62 C63 122.7(9) . .
C61A C62 C61B 28.3(4) . .
C63 C62 C61B 118.2(7) . .
C61A C62 H62A 118.7 . .
C63 C62 H62A 118.7 . .
C61B C62 H62A 115.1 . .
C64A C63 C62 125.8(11) . .
C64A C63 C64B 33.8(8) . .
C62 C63 C64B 117.9(7) . .
C64A C63 H63A 117.1 . .
C62 C63 H63A 117.1 . .
C64B C63 H63A 113.5 . .
C62 C61A C66A 113.1(10) . .
C62 C61A P6 117.2(9) . .
C66A C61A P6 129.3(9) . .
C62 C61A H61A 123.4 . .
C66A C61A H61A 123.4 . .
P6 C61A H61A 8.2 . .
C63 C64A C65A 119.7(13) . .
C63 C64A H64A 120.2 . .
C65A C64A H64A 120.2 . .
C64A C65A C66A 119.0(12) . .
C64A C65A H65A 120.5 . .
C66A C65A H65A 120.5 . .
C61A C66A C65A 119.5(10) . .
C61A C66A H66A 120.3 . .
C65A C66A H66A 120.3 . .
C66B C61B C62 123.3(9) . .
C66B C61B P6 126.9(8) . .
C62 C61B P6 109.8(7) . .
C66B C61B H61B 118.3 . .
C62 C61B H61B 118.3 . .
P6 C61B H61B 8.8 . .
C65B C64B C63 119.6(8) . .
C65B C64B H64B 120.2 . .
C63 C64B H64B 120.2 . .
C64B C65B C66B 121.0(10) . .
C64B C65B H65B 119.5 . .
C66B C65B H65B 119.5 . .
C65B C66B C61B 119.1(9) . .
C65B C66B H66B 120.5 . .
C61B C66B H66B 120.5 . .
C76 C71 C72 119.4(5) . .
C76 C71 P7 115.3(4) . .
C72 C71 P7 125.3(5) . .
C71 C72 C73 119.0(6) . .
C71 C72 H72A 120.5 . .
C73 C72 H72A 120.5 . .
C74 C73 C72 120.6(6) . .
C74 C73 H73A 119.7 . .
C72 C73 H73A 119.7 . .
C73 C74 C75 120.7(5) . .
C73 C74 H74A 119.7 . .
C75 C74 H74A 119.7 . .
C74 C75 C76 119.8(7) . .
C74 C75 H75A 120.1 . .
C76 C75 H75A 120.1 . .
C71 C76 C75 120.6(6) . .
C71 C76 H76A 119.7 . .
C75 C76 H76A 119.7 . .
C86 C81 C82 118.1(4) . .
C86 C81 P8 116.5(3) . .
C82 C81 P8 125.4(3) . .
C83 C82 C81 120.8(4) . .
C83 C82 H82A 119.6 . .
C81 C82 H82A 119.6 . .
C84 C83 C82 120.0(5) . .
C84 C83 H83A 120.0 . .
C82 C83 H83A 120.0 . .
C83 C84 C85 120.1(5) . .
C83 C84 H84A 120.0 . .
C85 C84 H84A 120.0 . .
C84 C85 C86 120.2(5) . .
C84 C85 H85A 119.9 . .
C86 C85 H85A 119.9 . .
C85 C86 C81 120.9(4) . .
C85 C86 H86A 119.6 . .
C81 C86 H86A 119.6 . .
C96 C91 C92 117.4(4) . .
C96 C91 P9 121.1(3) . .
C92 C91 P9 121.2(3) . .
C93 C92 C91 120.6(4) . .
C93 C92 H92A 119.7 . .
C91 C92 H92A 119.7 . .
C94 C93 C92 120.8(4) . .
C94 C93 H93A 119.6 . .
C92 C93 H93A 119.6 . .
C93 C94 C95 119.9(4) . .
C93 C94 H94A 120.0 . .
C95 C94 H94A 120.0 . .
C94 C95 C96 119.8(4) . .
C94 C95 H95A 120.1 . .
C96 C95 H95A 120.1 . .
C95 C96 C91 121.4(4) . .
C95 C96 H96A 119.3 . .
C91 C96 H96A 119.3 . .
C106 C101 C102 117.1(6) . .
C106 C101 P10 123.4(4) . .
C102 C101 P10 118.7(5) . .
C103 C102 C101 120.3(8) . .
C103 C102 H10A 119.8 . .
C101 C102 H10A 119.8 . .
C104 C103 C102 121.9(8) . .
C104 C103 H10B 119.1 . .
C102 C103 H10B 119.1 . .
C103 C104 C105 120.7(8) . .
C103 C104 H10C 119.7 . .
C105 C104 H10C 119.7 . .
C106 C105 C104 117.5(8) . .
C106 C105 H105 121.3 . .
C104 C105 H105 121.3 . .
C105 C106 C101 122.4(6) . .
C105 C106 H10F 118.8 . .
C101 C106 H10F 118.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
P1 C11 1.841(4) .
P1 P2 2.2159(14) .
P1 P5 2.2182(14) .
P2 C21 1.843(4) .
P2 P3 2.2079(15) .
P3 C31 1.832(4) .
P3 P4 2.2022(14) .
P4 C41 1.844(3) .
P4 P5 2.2391(14) .
P5 C51 1.845(4) .
P6 C61A 1.877(12) .
P6 C61B 1.904(11) .
P6 P7 2.195(3) .
P6 P10 2.217(2) .
P7 C71 1.837(5) .
P7 P8 2.2209(16) .
P8 C81 1.831(5) .
P8 P9 2.2152(16) .
P9 C91 1.842(4) .
P9 P10 2.2225(17) .
P10 C101 1.840(5) .
C11 C16 1.372(6) .
C11 C12 1.381(6) .
C12 C13 1.385(6) .
C12 H12A 0.9500 .
C13 C14 1.362(8) .
C13 H13A 0.9500 .
C14 C15 1.363(9) .
C14 H14A 0.9500 .
C15 C16 1.404(7) .
C15 H15A 0.9500 .
C16 H16A 0.9500 .
C21 C26 1.386(5) .
C21 C22 1.393(5) .
C22 C23 1.389(5) .
C22 H22A 0.9500 .
C23 C24 1.368(6) .
C23 H23A 0.9500 .
C24 C25 1.387(6) .
C24 H24A 0.9500 .
C25 C26 1.382(6) .
C25 H25A 0.9500 .
C26 H26A 0.9500 .
C31 C32 1.388(5) .
C31 C36 1.391(5) .
C32 C33 1.395(5) .
C32 H32A 0.9500 .
C33 C34 1.377(6) .
C33 H33A 0.9500 .
C34 C35 1.369(6) .
C34 H34A 0.9500 .
C35 C36 1.393(6) .
C35 H35A 0.9500 .
C36 H36A 0.9500 .
C41 C46 1.379(5) .
C41 C42 1.394(5) .
C42 C43 1.385(5) .
C42 H42A 0.9500 .
C43 C44 1.369(6) .
C43 H43A 0.9500 .
C44 C45 1.366(6) .
C44 H44A 0.9500 .
C45 C46 1.393(6) .
C45 H45A 0.9500 .
C46 H46A 0.9500 .
C51 C52 1.389(5) .
C51 C56 1.391(5) .
C52 C53 1.390(6) .
C52 H52A 0.9500 .
C53 C54 1.378(7) .
C53 H53A 0.9500 .
C54 C55 1.366(7) .
C54 H54A 0.9500 .
C55 C56 1.392(5) .
C55 H55A 0.9500 .
C56 H56A 0.9500 .
C62 C61A 1.293(14) .
C62 C63 1.381(8) .
C62 C61B 1.407(12) .
C62 H62A 0.9500 .
C63 C64A 1.117(16) .
C63 C64B 1.531(17) .
C63 H63A 0.9500 .
C61A C66A 1.377(16) .
C61A H61A 0.9500 .
C64A C65A 1.331(19) .
C64A H64A 0.9500 .
C65A C66A 1.414(13) .
C65A H65A 0.9500 .
C66A H66A 0.9500 .
C61B C66B 1.396(15) .
C61B H61B 0.9500 .
C64B C65B 1.354(16) .
C64B H64B 0.9500 .
C65B C66B 1.388(12) .
C65B H65B 0.9500 .
C66B H66B 0.9500 .
C71 C76 1.384(8) .
C71 C72 1.393(7) .
C72 C73 1.412(7) .
C72 H72A 0.9500 .
C73 C74 1.357(9) .
C73 H73A 0.9500 .
C74 C75 1.372(9) .
C74 H74A 0.9500 .
C75 C76 1.394(7) .
C75 H75A 0.9500 .
C76 H76A 0.9500 .
C81 C86 1.387(6) .
C81 C82 1.399(6) .
C82 C83 1.381(7) .
C82 H82A 0.9500 .
C83 C84 1.374(7) .
C83 H83A 0.9500 .
C84 C85 1.377(7) .
C84 H84A 0.9500 .
C85 C86 1.379(7) .
C85 H85A 0.9500 .
C86 H86A 0.9500 .
C91 C96 1.399(5) .
C91 C92 1.401(6) .
C92 C93 1.388(6) .
C92 H92A 0.9500 .
C93 C94 1.372(6) .
C93 H93A 0.9500 .
C94 C95 1.376(6) .
C94 H94A 0.9500 .
C95 C96 1.393(6) .
C95 H95A 0.9500 .
C96 H96A 0.9500 .
C101 C106 1.393(8) .
C101 C102 1.395(7) .
C102 C103 1.382(12) .
C102 H10A 0.9500 .
C103 C104 1.318(15) .
C103 H10B 0.9500 .
C104 C105 1.416(12) .
C104 H10C 0.9500 .
C105 C106 1.384(7) .
C105 H105 0.9500 .
C106 H10F 0.9500 .
