#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:09:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179233 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/53/4315337.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_4315337
loop_
_publ_author_name
'Elizabeth M. Lane'
'Timothy W. Chapp'
'Russell P. Hughes'
'David S. Glueck'
'Brett C. Feland'
'Guy M. Bernard'
'Roderick E. Wasylishen'
'Arnold L. Rheingold'
_publ_section_title
;
 Synthesis of Gold Phosphido Complexes Derived from Bis(secondary)
 Phosphines. Structure of Tetrameric [Au(MesP(CH2)3PMes)Au]4
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3950
_journal_page_last               3957
_journal_paper_doi               10.1021/ic100219j
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'C33 H60 B2 P2'
_chemical_formula_weight         540.37
_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                 109.068(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.2040(12)
_cell_length_b                   33.389(4)
_cell_length_c                   12.1610(16)
_cell_measurement_reflns_used    9912
_cell_measurement_temperature    208(2)
_cell_measurement_theta_max      28.03
_cell_measurement_theta_min      2.42
_cell_volume                     3532.2(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      208(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0589
_diffrn_reflns_av_sigmaI/netI    0.0494
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            32790
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.87
_exptl_absorpt_coefficient_mu    0.142
_exptl_absorpt_correction_T_max  0.9874
_exptl_absorpt_correction_T_min  0.9614
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.016
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.485
_refine_diff_density_min         -0.296
_refine_diff_density_rms         0.047
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     342
_refine_ls_number_reflns         6171
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.0866
_refine_ls_R_factor_gt           0.0588
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0560P)²+2.8000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1353
_refine_ls_wR_factor_ref         0.1548
_reflns_number_gt                4478
_reflns_number_total             6171
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic100219j_si_002_2.cif
_cod_data_source_block           glu275
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4315337
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
P1 P 0.39240(9) 0.22902(2) 0.11830(7) 0.0405(2) Uani 1 1 d . . .
P2 P 0.50475(9) 0.11669(2) 0.48460(7) 0.0430(2) Uani 1 1 d . . .
B1 B 0.2261(5) 0.25406(12) 0.0002(4) 0.0629(11) Uani 1 1 d . . .
H10A H 0.2662 0.2689 -0.0522 0.094 Uiso 1 1 calc R . .
H10B H 0.1727 0.2722 0.0361 0.094 Uiso 1 1 calc R . .
H10C H 0.1551 0.2337 -0.0432 0.094 Uiso 1 1 calc R . .
B2 B 0.4371(5) 0.09965(13) 0.6105(3) 0.0614(11) Uani 1 1 d . . .
H10D H 0.4158 0.1229 0.6504 0.092 Uiso 1 1 calc R . .
H10E H 0.5168 0.0837 0.6645 0.092 Uiso 1 1 calc R . .
H10F H 0.3444 0.0837 0.5801 0.092 Uiso 1 1 calc R . .
C1 C 0.3269(4) 0.20083(9) 0.2210(3) 0.0478(7) Uani 1 1 d . . .
H1A H 0.2894 0.2199 0.2668 0.057 Uiso 1 1 calc R . .
H1B H 0.2391 0.1844 0.1767 0.057 Uiso 1 1 calc R . .
C2 C 0.4432(3) 0.17386(8) 0.3043(2) 0.0399(6) Uani 1 1 d . . .
H2A H 0.5341 0.1897 0.3461 0.048 Uiso 1 1 calc R . .
H2B H 0.4753 0.1532 0.2598 0.048 Uiso 1 1 calc R . .
C3 C 0.3820(4) 0.15381(9) 0.3916(3) 0.0533(8) Uani 1 1 d . . .
H3A H 0.2838 0.1410 0.3490 0.064 Uiso 1 1 calc R . .
H3B H 0.3606 0.1746 0.4410 0.064 Uiso 1 1 calc R . .
C4 C 0.5562(3) 0.08146(8) 0.3888(2) 0.0366(6) Uani 1 1 d . . .
C5 C 0.4529(3) 0.05056(8) 0.3360(2) 0.0379(6) Uani 1 1 d . . .
C6 C 0.2936(3) 0.04677(9) 0.3481(3) 0.0462(7) Uani 1 1 d . . .
H6A H 0.2797 0.0698 0.3948 0.055 Uiso 1 1 calc R . .
C7 C 0.1691(3) 0.04938(12) 0.2297(3) 0.0670(10) Uani 1 1 d . . .
H7A H 0.1809 0.0741 0.1916 0.101 Uiso 1 1 calc R . .
H7B H 0.0688 0.0489 0.2397 0.101 Uiso 1 1 calc R . .
H7C H 0.1784 0.0268 0.1822 0.101 Uiso 1 1 calc R . .
C8 C 0.2778(4) 0.00897(10) 0.4124(3) 0.0618(9) Uani 1 1 d . . .
H8A H 0.3579 0.0083 0.4877 0.093 Uiso 1 1 calc R . .
H8B H 0.2874 -0.0143 0.3675 0.093 Uiso 1 1 calc R . .
H8C H 0.1779 0.0087 0.4233 0.093 Uiso 1 1 calc R . .
C9 C 0.4961(3) 0.02224(8) 0.2689(2) 0.0378(6) Uani 1 1 d . . .
H9A H 0.4273 0.0014 0.2348 0.045 Uiso 1 1 calc R . .
C10 C 0.6367(3) 0.02350(8) 0.2505(2) 0.0354(6) Uani 1 1 d . . .
C11 C 0.6835(3) -0.00795(8) 0.1789(2) 0.0417(7) Uani 1 1 d . . .
H11A H 0.5962 -0.0267 0.1491 0.050 Uiso 1 1 calc R . .
C12 C 0.8211(3) -0.03203(9) 0.2534(3) 0.0519(8) Uani 1 1 d . . .
H12A H 0.7980 -0.0434 0.3192 0.078 Uiso 1 1 calc R . .
H12B H 0.9099 -0.0146 0.2813 0.078 Uiso 1 1 calc R . .
H12C H 0.8429 -0.0534 0.2071 0.078 Uiso 1 1 calc R . .
C13 C 0.7149(4) 0.01025(10) 0.0744(3) 0.0562(8) Uani 1 1 d . . .
H13A H 0.6253 0.0252 0.0282 0.084 Uiso 1 1 calc R . .
H13B H 0.7368 -0.0109 0.0275 0.084 Uiso 1 1 calc R . .
H13C H 0.8025 0.0281 0.1009 0.084 Uiso 1 1 calc R . .
C14 C 0.7346(3) 0.05491(8) 0.3006(2) 0.0378(6) Uani 1 1 d . . .
H14A H 0.8300 0.0564 0.2881 0.045 Uiso 1 1 calc R . .
C15 C 0.6984(3) 0.08424(8) 0.3683(2) 0.0358(6) Uani 1 1 d . . .
C16 C 0.8175(3) 0.11702(8) 0.4198(3) 0.0444(7) Uani 1 1 d . . .
H16A H 0.7620 0.1405 0.4360 0.053 Uiso 1 1 calc R . .
C17 C 0.9020(5) 0.13071(11) 0.3373(4) 0.0790(12) Uani 1 1 d . . .
H17A H 0.8280 0.1399 0.2650 0.118 Uiso 1 1 calc R . .
H17B H 0.9602 0.1085 0.3215 0.118 Uiso 1 1 calc R . .
H17C H 0.9715 0.1524 0.3729 0.118 Uiso 1 1 calc R . .
C18 C 0.9297(4) 0.10275(11) 0.5356(3) 0.0758(11) Uani 1 1 d . . .
H18A H 0.8729 0.0946 0.5865 0.114 Uiso 1 1 calc R . .
H18B H 0.9992 0.1244 0.5718 0.114 Uiso 1 1 calc R . .
H18C H 0.9883 0.0802 0.5223 0.114 Uiso 1 1 calc R . .
C19 C 0.5370(3) 0.20183(8) 0.0751(2) 0.0378(6) Uani 1 1 d . . .
C20 C 0.4936(3) 0.16659(8) 0.0079(2) 0.0391(6) Uani 1 1 d . . .
C21 C 0.3370(3) 0.14677(8) -0.0188(3) 0.0453(7) Uani 1 1 d . . .
H21A H 0.2772 0.1625 0.0208 0.054 Uiso 1 1 calc R . .
C22 C 0.3528(4) 0.10422(9) 0.0295(3) 0.0608(9) Uani 1 1 d . . .
H22A H 0.2517 0.0923 0.0120 0.091 Uiso 1 1 calc R . .
H22B H 0.4030 0.1049 0.1131 0.091 Uiso 1 1 calc R . .
H22C H 0.4139 0.0884 -0.0060 0.091 Uiso 1 1 calc R . .
C23 C 0.2479(4) 0.14688(10) -0.1481(3) 0.0544(8) Uani 1 1 d . . .
H23A H 0.2372 0.1742 -0.1769 0.082 Uiso 1 1 calc R . .
H23B H 0.1469 0.1354 -0.1611 0.082 Uiso 1 1 calc R . .
H23C H 0.3028 0.1311 -0.1888 0.082 Uiso 1 1 calc R . .
C24 C 0.5974(3) 0.14877(8) -0.0385(3) 0.0451(7) Uani 1 1 d . . .
H24A H 0.5680 0.1253 -0.0829 0.054 Uiso 1 1 calc R . .
C25 C 0.7424(3) 0.16440(9) -0.0216(3) 0.0448(7) Uani 1 1 d . . .
C26 C 0.8499(4) 0.14753(10) -0.0817(3) 0.0546(8) Uani 1 1 d . . .
H26A H 0.9551 0.1558 -0.0343 0.066 Uiso 1 1 calc R . .
C27 C 0.8514(5) 0.10291(11) -0.0885(5) 0.0967(15) Uani 1 1 d . . .
H27A H 0.8742 0.0917 -0.0110 0.145 Uiso 1 1 calc R . .
H27B H 0.9294 0.0945 -0.1213 0.145 Uiso 1 1 calc R . .
H27C H 0.7515 0.0935 -0.1375 0.145 Uiso 1 1 calc R . .
C28 C 0.8169(4) 0.16737(12) -0.1985(3) 0.0738(11) Uani 1 1 d . . .
H28A H 0.8200 0.1962 -0.1888 0.111 Uiso 1 1 calc R . .
H28B H 0.7158 0.1594 -0.2490 0.111 Uiso 1 1 calc R . .
H28C H 0.8937 0.1593 -0.2329 0.111 Uiso 1 1 calc R . .
C29 C 0.7843(3) 0.19828(9) 0.0476(3) 0.0444(7) Uani 1 1 d . . .
H29A H 0.8835 0.2088 0.0618 0.053 Uiso 1 1 calc R . .
C30 C 0.6865(3) 0.21743(8) 0.0971(2) 0.0410(7) Uani 1 1 d . . .
C31 C 0.7428(3) 0.25597(9) 0.1646(3) 0.0481(7) Uani 1 1 d . . .
H31A H 0.6939 0.2579 0.2258 0.058 Uiso 1 1 calc R . .
C32 C 0.9161(4) 0.25795(13) 0.2241(4) 0.0843(13) Uani 1 1 d . . .
H32A H 0.9490 0.2354 0.2768 0.127 Uiso 1 1 calc R . .
H32B H 0.9426 0.2828 0.2675 0.127 Uiso 1 1 calc R . .
H32C H 0.9671 0.2569 0.1658 0.127 Uiso 1 1 calc R . .
C33 C 0.6857(5) 0.29146(10) 0.0816(3) 0.0779(12) Uani 1 1 d . . .
H33A H 0.5751 0.2896 0.0453 0.117 Uiso 1 1 calc R . .
H33B H 0.7347 0.2909 0.0221 0.117 Uiso 1 1 calc R . .
H33C H 0.7112 0.3163 0.1250 0.117 Uiso 1 1 calc R . .
H1 H 0.477(3) 0.2583(9) 0.190(3) 0.064(9) Uiso 1 1 d . . .
H2 H 0.642(3) 0.1387(8) 0.534(2) 0.047(8) Uiso 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'
B B 0.0013 0.0007 '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
C1 P1 C19 112.16(12) . . ?
C1 P1 B1 112.23(17) . . ?
C19 P1 B1 118.74(16) . . ?
C1 P1 H1 100.1(13) . . ?
C19 P1 H1 102.9(12) . . ?
B1 P1 H1 108.4(12) . . ?
C3 P2 C4 106.41(13) . . ?
C3 P2 B2 113.82(16) . . ?
C4 P2 B2 122.57(16) . . ?
C3 P2 H2 101.6(11) . . ?
C4 P2 H2 102.9(11) . . ?
B2 P2 H2 107.0(11) . . ?
P1 B1 H10A 109.5 . . ?
P1 B1 H10B 109.5 . . ?
H10A B1 H10B 109.5 . . ?
P1 B1 H10C 109.5 . . ?
H10A B1 H10C 109.5 . . ?
H10B B1 H10C 109.5 . . ?
P2 B2 H10D 109.5 . . ?
P2 B2 H10E 109.5 . . ?
H10D B2 H10E 109.5 . . ?
P2 B2 H10F 109.5 . . ?
H10D B2 H10F 109.5 . . ?
H10E B2 H10F 109.5 . . ?
C2 C1 P1 116.6(2) . . ?
C2 C1 H1A 108.1 . . ?
P1 C1 H1A 108.1 . . ?
C2 C1 H1B 108.1 . . ?
P1 C1 H1B 108.1 . . ?
H1A C1 H1B 107.3 . . ?
C1 C2 C3 113.0(2) . . ?
C1 C2 H2A 109.0 . . ?
C3 C2 H2A 109.0 . . ?
C1 C2 H2B 109.0 . . ?
C3 C2 H2B 109.0 . . ?
H2A C2 H2B 107.8 . . ?
C2 C3 P2 116.3(2) . . ?
C2 C3 H3A 108.2 . . ?
P2 C3 H3A 108.2 . . ?
C2 C3 H3B 108.2 . . ?
P2 C3 H3B 108.2 . . ?
H3A C3 H3B 107.4 . . ?
C5 C4 C15 119.6(2) . . ?
C5 C4 P2 119.1(2) . . ?
C15 C4 P2 121.3(2) . . ?
C9 C5 C4 119.1(2) . . ?
C9 C5 C6 118.0(2) . . ?
C4 C5 C6 122.9(3) . . ?
C8 C6 C7 111.5(3) . . ?
C8 C6 C5 112.1(2) . . ?
C7 C6 C5 110.7(2) . . ?
C8 C6 H6A 107.4 . . ?
C7 C6 H6A 107.4 . . ?
C5 C6 H6A 107.4 . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 H8A 109.5 . . ?
C6 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C6 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C10 C9 C5 122.5(2) . . ?
C10 C9 H9A 118.8 . . ?
C5 C9 H9A 118.8 . . ?
C9 C10 C14 117.3(2) . . ?
C9 C10 C11 121.9(2) . . ?
C14 C10 C11 120.8(2) . . ?
C10 C11 C13 111.8(2) . . ?
C10 C11 C12 111.2(2) . . ?
C13 C11 C12 111.1(2) . . ?
C10 C11 H11A 107.5 . . ?
C13 C11 H11A 107.5 . . ?
C12 C11 H11A 107.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C10 C14 C15 123.1(2) . . ?
C10 C14 H14A 118.4 . . ?
C15 C14 H14A 118.4 . . ?
C14 C15 C4 118.3(2) . . ?
C14 C15 C16 117.9(2) . . ?
C4 C15 C16 123.7(2) . . ?
C18 C16 C17 111.3(3) . . ?
C18 C16 C15 109.5(2) . . ?
C17 C16 C15 113.3(2) . . ?
C18 C16 H16A 107.5 . . ?
C17 C16 H16A 107.5 . . ?
C15 C16 H16A 107.5 . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C30 C19 C20 119.3(2) . . ?
C30 C19 P1 121.3(2) . . ?
C20 C19 P1 119.1(2) . . ?
C24 C20 C19 119.2(3) . . ?
C24 C20 C21 117.1(2) . . ?
C19 C20 C21 123.6(2) . . ?
C23 C21 C20 111.9(2) . . ?
C23 C21 C22 110.6(3) . . ?
C20 C21 C22 111.0(3) . . ?
C23 C21 H21A 107.7 . . ?
C20 C21 H21A 107.7 . . ?
C22 C21 H21A 107.7 . . ?
C21 C22 H22A 109.5 . . ?
C21 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C21 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C21 C23 H23A 109.5 . . ?
C21 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C21 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C25 C24 C20 122.3(3) . . ?
C25 C24 H24A 118.8 . . ?
C20 C24 H24A 118.8 . . ?
C24 C25 C29 117.4(3) . . ?
C24 C25 C26 122.5(3) . . ?
C29 C25 C26 120.0(3) . . ?
C27 C26 C28 112.9(3) . . ?
C27 C26 C25 114.6(3) . . ?
C28 C26 C25 109.2(3) . . ?
C27 C26 H26A 106.5 . . ?
C28 C26 H26A 106.5 . . ?
C25 C26 H26A 106.5 . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C25 C29 C30 123.1(3) . . ?
C25 C29 H29A 118.4 . . ?
C30 C29 H29A 118.4 . . ?
C29 C30 C19 118.4(3) . . ?
C29 C30 C31 117.9(3) . . ?
C19 C30 C31 123.5(3) . . ?
C32 C31 C30 114.3(3) . . ?
C32 C31 C33 111.1(3) . . ?
C30 C31 C33 108.4(3) . . ?
C32 C31 H31A 107.6 . . ?
C30 C31 H31A 107.6 . . ?
C33 C31 H31A 107.6 . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C31 C33 H33A 109.5 . . ?
C31 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
C31 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
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 C1 1.817(3) . ?
P1 C19 1.824(3) . ?
P1 B1 1.916(4) . ?
P1 H1 1.37(3) . ?
P2 C3 1.805(3) . ?
P2 C4 1.824(3) . ?
P2 B2 1.918(4) . ?
P2 H2 1.42(3) . ?
B1 H10A 0.9700 . ?
B1 H10B 0.9700 . ?
B1 H10C 0.9700 . ?
B2 H10D 0.9700 . ?
B2 H10E 0.9700 . ?
B2 H10F 0.9700 . ?
C1 C2 1.508(4) . ?
C1 H1A 0.9800 . ?
C1 H1B 0.9800 . ?
C2 C3 1.511(4) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C4 C5 1.408(4) . ?
C4 C15 1.413(4) . ?
C5 C9 1.389(4) . ?
C5 C6 1.526(4) . ?
C6 C8 1.517(4) . ?
C6 C7 1.523(4) . ?
C6 H6A 0.9900 . ?
C7 H7A 0.9700 . ?
C7 H7B 0.9700 . ?
C7 H7C 0.9700 . ?
C8 H8A 0.9700 . ?
C8 H8B 0.9700 . ?
C8 H8C 0.9700 . ?
C9 C10 1.385(4) . ?
C9 H9A 0.9400 . ?
C10 C14 1.387(4) . ?
C10 C11 1.513(4) . ?
C11 C13 1.519(4) . ?
C11 C12 1.523(4) . ?
C11 H11A 0.9900 . ?
C12 H12A 0.9700 . ?
C12 H12B 0.9700 . ?
C12 H12C 0.9700 . ?
C13 H13A 0.9700 . ?
C13 H13B 0.9700 . ?
C13 H13C 0.9700 . ?
C14 C15 1.388(4) . ?
C14 H14A 0.9400 . ?
C15 C16 1.531(4) . ?
C16 C18 1.525(4) . ?
C16 C17 1.527(4) . ?
C16 H16A 0.9900 . ?
C17 H17A 0.9700 . ?
C17 H17B 0.9700 . ?
C17 H17C 0.9700 . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C18 H18C 0.9700 . ?
C19 C30 1.413(4) . ?
C19 C20 1.414(4) . ?
C20 C24 1.392(4) . ?
C20 C21 1.522(4) . ?
C21 C23 1.517(4) . ?
C21 C22 1.526(4) . ?
C21 H21A 0.9900 . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C22 H22C 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 C25 1.384(4) . ?
C24 H24A 0.9400 . ?
C25 C29 1.388(4) . ?
C25 C26 1.517(4) . ?
C26 C27 1.492(5) . ?
C26 C28 1.506(5) . ?
C26 H26A 0.9900 . ?
C27 H27A 0.9700 . ?
C27 H27B 0.9700 . ?
C27 H27C 0.9700 . ?
C28 H28A 0.9700 . ?
C28 H28B 0.9700 . ?
C28 H28C 0.9700 . ?
C29 C30 1.391(4) . ?
C29 H29A 0.9400 . ?
C30 C31 1.523(4) . ?
C31 C32 1.523(4) . ?
C31 C33 1.533(5) . ?
C31 H31A 0.9900 . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C32 H32C 0.9700 . ?
C33 H33A 0.9700 . ?
C33 H33B 0.9700 . ?
C33 H33C 0.9700 . ?
