#------------------------------------------------------------------------------
#$Date: 2016-03-21 06:55:12 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178540 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/46/4064614.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_4064614
loop_
_publ_author_name
'Bauer, Florian'
'Braunschweig, Holger'
'Gruss, Katrin'
'Kupfer, Thomas'
_publ_section_title
;
 Diboration of Dialkynes with [2]Boraferrocenophanes
;
_journal_issue                   10
_journal_name_full               Organometallics
_journal_page_first              2869
_journal_paper_doi               10.1021/om200214w
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C40 H70 P4 Pt2'
_chemical_formula_sum            'C40 H70 P4 Pt2'
_chemical_formula_weight         1065.02
_chemical_name_common
;
?
;
_chemical_name_systematic
; 
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 90.927(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.623(4)
_cell_length_b                   13.633(3)
_cell_length_c                   19.673(4)
_cell_measurement_reflns_used    5520
_cell_measurement_temperature    174(2)
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.18
_cell_volume                     4457.7(17)
_computing_cell_refinement       'Saint+ NT ver. 6.45 (Bruker AXS)'
_computing_data_collection       'Smart NT ver. 5.63 (Bruker AXS)'
_computing_data_reduction        'Saint+ NT ver. 6.45 (Bruker AXS)'
_computing_molecular_graphics    'XP ver. 5.1 (Bruker AXS, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      174(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0612
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            33887
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         2.18
_exptl_absorpt_coefficient_mu    6.438
_exptl_absorpt_correction_T_max  0.393
_exptl_absorpt_correction_T_min  0.062435124
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs 2004/1 (Bruker Nonius 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.587
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.57
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.145
_refine_diff_density_max         1.919
_refine_diff_density_min         -2.056
_refine_diff_density_rms         0.228
_refine_ls_extinction_coef       0.00183(8)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         5520
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.119
_refine_ls_R_factor_all          0.0331
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0483P)²+0.6712P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0749
_refine_ls_wR_factor_ref         0.0833
_reflns_number_gt                5011
_reflns_number_total             5520
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om200214w_si_002.cif
_cod_data_source_block           KG136
_cod_original_cell_volume        4457.6(17)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4064614
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
C23A C 0.2992(19) 0.5349(13) 0.2795(16) 0.098(9) Uani 0.58(6) 1 d PD A 1
H23A H 0.2805 0.4872 0.2462 0.117 Uiso 0.58(6) 1 calc PR A 1
H23B H 0.3565 0.5246 0.2866 0.117 Uiso 0.58(6) 1 calc PR A 1
C24A C 0.2569(12) 0.518(3) 0.3449(16) 0.084(8) Uani 0.58(6) 1 d PD A 1
H24A H 0.2766 0.4585 0.3655 0.126 Uiso 0.58(6) 1 calc PR A 1
H24B H 0.2002 0.5120 0.3361 0.126 Uiso 0.58(6) 1 calc PR A 1
H24C H 0.2669 0.5720 0.3750 0.126 Uiso 0.58(6) 1 calc PR A 1
C23B C 0.3128(15) 0.5335(10) 0.2685(11) 0.043(5) Uani 0.42(6) 1 d PD A 2
H23C H 0.3172 0.4962 0.2267 0.052 Uiso 0.42(6) 1 calc PR A 2
H23D H 0.3663 0.5368 0.2888 0.052 Uiso 0.42(6) 1 calc PR A 2
C24B C 0.2605(14) 0.476(2) 0.3158(19) 0.074(7) Uani 0.42(6) 1 d PD A 2
H24D H 0.2803 0.4101 0.3194 0.110 Uiso 0.42(6) 1 calc PR A 2
H24E H 0.2063 0.4753 0.2983 0.110 Uiso 0.42(6) 1 calc PR A 2
H24F H 0.2617 0.5063 0.3598 0.110 Uiso 0.42(6) 1 calc PR A 2
C1 C 0.1052(2) 0.8208(2) 0.36553(17) 0.0261(7) Uani 1 1 d . . .
C2 C 0.0686(2) 0.9122(3) 0.37322(19) 0.0365(8) Uani 1 1 d . . .
H2A H 0.0410 0.9399 0.3365 0.044 Uiso 1 1 calc R . .
C3 C 0.0723(3) 0.9628(3) 0.4346(2) 0.0451(10) Uani 1 1 d . . .
H3A H 0.0482 1.0241 0.4383 0.054 Uiso 1 1 calc R . .
C4 C 0.1118(3) 0.9220(3) 0.4898(2) 0.0490(11) Uani 1 1 d . . .
H4A H 0.1139 0.9552 0.5311 0.059 Uiso 1 1 calc R . .
C5 C 0.1485(3) 0.8313(4) 0.4835(2) 0.0470(10) Uani 1 1 d . . .
H5A H 0.1751 0.8038 0.5209 0.056 Uiso 1 1 calc R . .
C6 C 0.1459(2) 0.7806(3) 0.42213(18) 0.0347(8) Uani 1 1 d . . .
H6A H 0.1711 0.7200 0.4186 0.042 Uiso 1 1 calc R . .
C7 C 0.09840(18) 0.7679(3) 0.30174(16) 0.0262(6) Uani 1 1 d . . .
C8 C 0.04180(18) 0.7466(2) 0.25702(15) 0.0253(6) Uani 1 1 d . . .
C11 C 0.0247(2) 0.5953(4) 0.0985(2) 0.0516(11) Uani 1 1 d . . .
H11A H -0.0057 0.6557 0.1023 0.062 Uiso 1 1 calc R . .
H11B H 0.0216 0.5744 0.0514 0.062 Uiso 1 1 calc R . .
C12 C -0.0139(3) 0.5178(5) 0.1424(3) 0.0756(17) Uani 1 1 d . . .
H12A H -0.0660 0.5016 0.1239 0.113 Uiso 1 1 calc R . .
H12B H -0.0194 0.5424 0.1878 0.113 Uiso 1 1 calc R . .
H12C H 0.0193 0.4601 0.1432 0.113 Uiso 1 1 calc R . .
C13 C 0.1617(3) 0.6964(3) 0.0494(2) 0.0517(12) Uani 1 1 d . . .
H13A H 0.2196 0.7042 0.0517 0.062 Uiso 1 1 calc R . .
H13B H 0.1483 0.6630 0.0072 0.062 Uiso 1 1 calc R . .
C14 C 0.1223(5) 0.7976(4) 0.0489(3) 0.0664(16) Uani 1 1 d . . .
H14A H 0.1501 0.8396 0.0179 0.100 Uiso 1 1 calc R . .
H14B H 0.1250 0.8251 0.0937 0.100 Uiso 1 1 calc R . .
H14C H 0.0670 0.7916 0.0346 0.100 Uiso 1 1 calc R . .
C15 C 0.1796(3) 0.5025(3) 0.1022(2) 0.0493(11) Uani 1 1 d . . .
H15A H 0.2372 0.5132 0.1040 0.059 Uiso 1 1 calc R . .
H15B H 0.1669 0.4567 0.1382 0.059 Uiso 1 1 calc R . .
C16 C 0.1584(3) 0.4536(5) 0.0339(3) 0.0767(18) Uani 1 1 d . . .
H16A H 0.1917 0.3968 0.0280 0.115 Uiso 1 1 calc R . .
H16B H 0.1675 0.4991 -0.0024 0.115 Uiso 1 1 calc R . .
H16C H 0.1029 0.4342 0.0335 0.115 Uiso 1 1 calc R . .
C21 C 0.3563(2) 0.6707(4) 0.1773(2) 0.0445(10) Uani 1 1 d . A .
H21A H 0.4086 0.6501 0.1947 0.053 Uiso 1 1 calc R . .
H21B H 0.3412 0.6267 0.1406 0.053 Uiso 1 1 calc R . .
C22 C 0.3636(3) 0.7737(5) 0.1491(3) 0.0708(15) Uani 1 1 d . . .
H22A H 0.3978 0.7730 0.1103 0.106 Uiso 1 1 calc R . .
H22B H 0.3863 0.8161 0.1834 0.106 Uiso 1 1 calc R . .
H22C H 0.3112 0.7973 0.1359 0.106 Uiso 1 1 calc R . .
C25 C 0.3258(2) 0.7393(5) 0.3119(2) 0.0596(14) Uani 1 1 d . A .
H25A H 0.3196 0.8066 0.2969 0.072 Uiso 1 1 calc R . .
H25B H 0.2940 0.7316 0.3525 0.072 Uiso 1 1 calc R . .
C26 C 0.4149(3) 0.7231(6) 0.3318(3) 0.0750(17) Uani 1 1 d . . .
H26A H 0.4288 0.7641 0.3699 0.113 Uiso 1 1 calc R . .
H26B H 0.4482 0.7396 0.2941 0.113 Uiso 1 1 calc R . .
H26C H 0.4232 0.6556 0.3439 0.113 Uiso 1 1 calc R . .
P1 P 0.12968(5) 0.61997(7) 0.12105(4) 0.02865(19) Uani 1 1 d . . .
P2 P 0.28259(5) 0.65901(8) 0.24550(5) 0.0312(2) Uani 1 1 d D . .
Pt1 Pt 0.149746(6) 0.689519(9) 0.225007(5) 0.02320(8) Uani 1 1 d . A .
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'
Pt Pt -1.7033 8.3905 '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
C24A C23A P2 112.7(12) . .
C24A C23A H23A 109.1 . .
P2 C23A H23A 109.1 . .
C24A C23A H23B 109.1 . .
P2 C23A H23B 109.1 . .
H23A C23A H23B 107.8 . .
C24B C23B P2 118.5(16) . .
C24B C23B H23C 107.7 . .
P2 C23B H23C 107.7 . .
C24B C23B H23D 107.7 . .
P2 C23B H23D 107.7 . .
H23C C23B H23D 107.1 . .
C23B C24B H24D 109.5 . .
C23B C24B H24E 109.5 . .
H24D C24B H24E 109.5 . .
C23B C24B H24F 109.5 . .
H24D C24B H24F 109.5 . .
H24E C24B H24F 109.5 . .
C2 C1 C6 117.9(3) . .
C2 C1 C7 120.6(3) . .
C6 C1 C7 121.5(3) . .
C3 C2 C1 121.5(4) . .
C3 C2 H2A 119.2 . .
C1 C2 H2A 119.2 . .
C4 C3 C2 119.9(4) . .
C4 C3 H3A 120.1 . .
C2 C3 H3A 120.1 . .
C3 C4 C5 119.7(4) . .
C3 C4 H4A 120.2 . .
C5 C4 H4A 120.2 . .
C4 C5 C6 120.9(4) . .
C4 C5 H5A 119.5 . .
C6 C5 H5A 119.5 . .
C5 C6 C1 120.1(4) . .
C5 C6 H6A 119.9 . .
C1 C6 H6A 119.9 . .
C8 C7 C1 137.5(3) . .
C8 C7 Pt1 72.1(2) . .
C1 C7 Pt1 150.4(2) . .
C7 C8 C8 145.6(4) . 2
C7 C8 Pt1 70.7(2) . .
C8 C8 Pt1 142.9(2) 2 .
C12 C11 P1 113.7(4) . .
C12 C11 H11A 108.8 . .
P1 C11 H11A 108.8 . .
C12 C11 H11B 108.8 . .
P1 C11 H11B 108.8 . .
H11A C11 H11B 107.7 . .
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 . .
C14 C13 P1 112.8(4) . .
C14 C13 H13A 109.0 . .
P1 C13 H13A 109.0 . .
C14 C13 H13B 109.0 . .
P1 C13 H13B 109.0 . .
H13A C13 H13B 107.8 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C16 C15 P1 117.1(3) . .
C16 C15 H15A 108.0 . .
P1 C15 H15A 108.0 . .
C16 C15 H15B 108.0 . .
P1 C15 H15B 108.0 . .
H15A C15 H15B 107.3 . .
C15 C16 H16A 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C15 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C22 C21 P2 113.9(4) . .
C22 C21 H21A 108.8 . .
P2 C21 H21A 108.8 . .
C22 C21 H21B 108.8 . .
P2 C21 H21B 108.8 . .
H21A C21 H21B 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 . .
C26 C25 P2 117.3(4) . .
C26 C25 H25A 108.0 . .
P2 C25 H25A 108.0 . .
C26 C25 H25B 108.0 . .
P2 C25 H25B 108.0 . .
H25A C25 H25B 107.2 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C11 P1 C13 101.9(2) . .
C11 P1 C15 102.9(2) . .
C13 P1 C15 101.6(2) . .
C11 P1 Pt1 114.90(15) . .
C13 P1 Pt1 114.42(16) . .
C15 P1 Pt1 118.88(14) . .
C23B P2 C21 94.4(7) . .
C21 P2 C23A 104.3(10) . .
C23B P2 C25 106.1(8) . .
C21 P2 C25 102.1(2) . .
C23A P2 C25 103.6(10) . .
C23B P2 Pt1 118.3(8) . .
C21 P2 Pt1 120.74(16) . .
C23A P2 Pt1 111.9(10) . .
C25 P2 Pt1 112.53(16) . .
C7 Pt1 C8 37.17(12) . .
C7 Pt1 P1 145.48(9) . .
C8 Pt1 P1 108.43(9) . .
C7 Pt1 P2 112.31(9) . .
C8 Pt1 P2 149.38(9) . .
P1 Pt1 P2 102.17(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C23A C24A 1.494(16) .
C23A P2 1.839(12) .
C23A H23A 0.9700 .
C23A H23B 0.9700 .
C24A H24A 0.9600 .
C24A H24B 0.9600 .
C24A H24C 0.9600 .
C23B C24B 1.503(17) .
C23B P2 1.838(12) .
C23B H23C 0.9700 .
C23B H23D 0.9700 .
C24B H24D 0.9600 .
C24B H24E 0.9600 .
C24B H24F 0.9600 .
C1 C2 1.397(5) .
C1 C6 1.405(5) .
C1 C7 1.450(5) .
C2 C3 1.391(5) .
C2 H2A 0.9300 .
C3 C4 1.379(6) .
C3 H3A 0.9300 .
C4 C5 1.384(7) .
C4 H4A 0.9300 .
C5 C6 1.392(5) .
C5 H5A 0.9300 .
C6 H6A 0.9300 .
C7 C8 1.310(4) .
C7 Pt1 2.047(3) .
C8 C8 1.413(6) 2
C8 Pt1 2.064(3) .
C11 C12 1.513(8) .
C11 P1 1.825(4) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 C14 1.527(7) .
C13 P1 1.838(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
C15 C16 1.536(6) .
C15 P1 1.844(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C21 C22 1.515(8) .
C21 P2 1.839(4) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C22 H22A 0.9600 .
C22 H22B 0.9600 .
C22 H22C 0.9600 .
C25 C26 1.543(6) .
C25 P2 1.840(5) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9600 .
C26 H26B 0.9600 .
C26 H26C 0.9600 .
P1 Pt1 2.2740(9) .
P2 Pt1 2.2767(10) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 C3 0.5(5) . .
C7 C1 C2 C3 178.0(4) . .
C1 C2 C3 C4 -1.1(6) . .
C2 C3 C4 C5 0.8(7) . .
C3 C4 C5 C6 0.0(7) . .
C4 C5 C6 C1 -0.5(7) . .
C2 C1 C6 C5 0.3(6) . .
C7 C1 C6 C5 -177.2(4) . .
C2 C1 C7 C8 -44.6(6) . .
C6 C1 C7 C8 132.8(5) . .
C2 C1 C7 Pt1 133.2(5) . .
C6 C1 C7 Pt1 -49.3(7) . .
C1 C7 C8 C8 -11.0(8) . 2
Pt1 C7 C8 C8 170.1(4) . 2
C1 C7 C8 Pt1 178.9(5) . .
C12 C11 P1 C13 169.4(4) . .
C12 C11 P1 C15 64.4(4) . .
C12 C11 P1 Pt1 -66.3(4) . .
C14 C13 P1 C11 69.0(4) . .
C14 C13 P1 C15 175.0(4) . .
C14 C13 P1 Pt1 -55.6(5) . .
C16 C15 P1 C11 46.4(5) . .
C16 C15 P1 C13 -58.8(5) . .
C16 C15 P1 Pt1 174.7(4) . .
C24B C23B P2 C21 -169(2) . .
C24B C23B P2 C23A 11(9) . .
C24B C23B P2 C25 87(2) . .
C24B C23B P2 Pt1 -40(3) . .
C22 C21 P2 C23B -170.3(8) . .
C22 C21 P2 C23A -170.4(11) . .
C22 C21 P2 C25 -62.8(4) . .
C22 C21 P2 Pt1 62.8(4) . .
C24A C23A P2 C23B 168(11) . .
C24A C23A P2 C21 168.1(19) . .
C24A C23A P2 C25 62(2) . .
C24A C23A P2 Pt1 -60(2) . .
C26 C25 P2 C23B 47.2(9) . .
C26 C25 P2 C21 -51.0(5) . .
C26 C25 P2 C23A 57.1(11) . .
C26 C25 P2 Pt1 178.1(4) . .
C1 C7 Pt1 C8 -178.5(6) . .
C8 C7 Pt1 P1 5.9(3) . .
C1 C7 Pt1 P1 -172.6(4) . .
C8 C7 Pt1 P2 -176.79(17) . .
C1 C7 Pt1 P2 4.7(5) . .
C8 C8 Pt1 C7 -170.7(4) 2 .
C7 C8 Pt1 P1 -176.48(18) . .
C8 C8 Pt1 P1 12.8(4) 2 .
C7 C8 Pt1 P2 5.8(3) . .
C8 C8 Pt1 P2 -164.9(3) 2 .
C11 P1 Pt1 C7 -20.9(3) . .
C13 P1 Pt1 C7 96.5(3) . .
C15 P1 Pt1 C7 -143.3(2) . .
C11 P1 Pt1 C8 -17.1(2) . .
C13 P1 Pt1 C8 100.2(2) . .
C15 P1 Pt1 C8 -139.6(2) . .
C11 P1 Pt1 P2 161.7(2) . .
C13 P1 Pt1 P2 -81.0(2) . .
C15 P1 Pt1 P2 39.23(19) . .
C23B P2 Pt1 C7 107.2(8) . .
C21 P2 Pt1 C7 -137.8(2) . .
C23A P2 Pt1 C7 98.9(11) . .
C25 P2 Pt1 C7 -17.2(2) . .
C23B P2 Pt1 C8 103.4(8) . .
C21 P2 Pt1 C8 -141.6(2) . .
C23A P2 Pt1 C8 95.1(11) . .
C25 P2 Pt1 C8 -21.0(3) . .
C23B P2 Pt1 P1 -74.4(8) . .
C21 P2 Pt1 P1 40.61(18) . .
C23A P2 Pt1 P1 -82.6(11) . .
C25 P2 Pt1 P1 161.3(2) . .
