#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:25:20 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179245 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/65/4316525.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_4316525
loop_
_publ_author_name
'W. Alexander Merrill'
'Eric Rivard'
'Jeffrey S. DeRopp'
'Xinping Wang'
'Bobby D. Ellis'
'James C. Fettinger'
'Bernd Wrackmeyer'
'Philip P. Power'
_publ_section_title
;
 Synthesis and Characterization of the M(II) (M = Ge, Sn, or Pb)
 Phosphinidene Dimers {M(μ-PAr')}2 (Ar' = C6H3-2,6-(C6H3-2,6-Pri2)2)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8481
_journal_page_last               8486
_journal_paper_doi               10.1021/ic101068a
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C60 H74 P2 Pb2, C6 H14'
_chemical_formula_sum            'C66 H88 P2 Pb2'
_chemical_formula_weight         1357.70
_chemical_melting_point          274
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 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                 98.436(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.842(3)
_cell_length_b                   20.591(6)
_cell_length_c                   12.734(4)
_cell_measurement_reflns_used    8050
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.65
_cell_measurement_theta_min      2.19
_cell_volume                     3071.4(15)
_computing_cell_refinement       'SAINT (7.60A) (Bruker, 2008)'
_computing_data_collection       'SMART (Version 5.054) (Bruker, 2002)'
_computing_data_reduction        'SAINT (7.60A) (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL 5.1, XP (Sheldrick, 1994)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       'ω and φ'
_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  0.0743
_diffrn_reflns_av_sigmaI/netI    0.0623
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            12523
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.90
_exptl_absorpt_coefficient_mu    5.563
_exptl_absorpt_correction_T_max  0.2611
_exptl_absorpt_correction_T_min  0.2144
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2008/2 (Sheldrick, 2008)'
_exptl_crystal_colour            Purple
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1356
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.33
_refine_diff_density_max         2.567
_refine_diff_density_min         -2.206
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         3594
_refine_ls_number_restraints     46
_refine_ls_restrained_S_all      1.166
_refine_ls_R_factor_all          0.0865
_refine_ls_R_factor_gt           0.0570
_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)+(0.0972P)²+0.6110P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1486
_refine_ls_wR_factor_ref         0.1607
_reflns_number_gt                2569
_reflns_number_total             3594
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic101068a_si_001_3.cif
_cod_data_source_block           wam08fmi
_cod_original_cell_volume        3071.6(15)
_cod_original_sg_symbol_H-M      'I 2/m'
_cod_database_code               4316525
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z'
'-x+1/2, -y+1/2, -z+1/2'
'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
Pb1 Pb 0.46709(10) 0.5000 0.62905(14) 0.0230(3) Uani 0.50 2 d SP . 1
Pb2 Pb 0.42185(10) 0.5000 0.62773(16) 0.0234(3) Uani 0.50 2 d SP . 2
P1 P 0.5550(3) 0.57687(14) 0.5363(2) 0.0212(7) Uani 0.50 1 d P . .
C1 C 0.5000 0.6621(5) 0.5000 0.043(3) Uani 1 2 d S . .
C2 C 0.4664(7) 0.6974(3) 0.5863(7) 0.0360(18) Uani 1 1 d . . .
C3 C 0.4677(7) 0.7641(3) 0.5856(7) 0.0378(18) Uani 1 1 d . . .
H3 H 0.4464 0.7874 0.6441 0.045 Uiso 1 1 calc R . .
C4 C 0.5000 0.7981(5) 0.5000 0.050(3) Uani 1 2 d S . .
H4 H 0.5000 0.8442 0.5000 0.060 Uiso 1 2 calc SR . .
C5 C 0.4295(6) 0.6623(3) 0.6787(6) 0.0321(16) Uani 1 1 d . . .
C6 C 0.3132(7) 0.6487(4) 0.6777(6) 0.0351(17) Uani 1 1 d . . .
C7 C 0.2818(7) 0.6159(4) 0.7653(6) 0.0373(18) Uani 1 1 d . . .
H7 H 0.2039 0.6052 0.7658 0.045 Uiso 1 1 calc R . .
C8 C 0.3622(7) 0.5985(5) 0.8513(6) 0.046(2) Uani 1 1 d . . .
H8 H 0.3389 0.5759 0.9094 0.055 Uiso 1 1 calc R . .
C9 C 0.4744(7) 0.6138(5) 0.8528(6) 0.044(2) Uani 1 1 d . . .
H9 H 0.5282 0.6031 0.9131 0.053 Uiso 1 1 calc R . .
C10 C 0.5113(6) 0.6455(4) 0.7658(6) 0.0359(18) Uani 1 1 d . . .
C11 C 0.2226(6) 0.6679(4) 0.5864(6) 0.0383(18) Uani 0.62 1 d PD . 1
H11 H 0.2598 0.7020 0.5473 0.046 Uiso 0.62 1 calc PR . 1
C12 C 0.1934(17) 0.6156(8) 0.5081(13) 0.060(4) Uani 0.62 1 d PDU . 1
H12A H 0.1527 0.6341 0.4423 0.090 Uiso 0.62 1 calc PR . 1
H12B H 0.1446 0.5836 0.5365 0.090 Uiso 0.62 1 calc PR . 1
H12C H 0.2635 0.5944 0.4934 0.090 Uiso 0.62 1 calc PR . 1
C13 C 0.1263(10) 0.7025(7) 0.6272(11) 0.036(3) Uani 0.62 1 d PD . 1
H13A H 0.0792 0.6709 0.6587 0.054 Uiso 0.62 1 calc PR . 1
H13B H 0.0795 0.7250 0.5684 0.054 Uiso 0.62 1 calc PR . 1
H13C H 0.1573 0.7342 0.6812 0.054 Uiso 0.62 1 calc PR . 1
C11A C 0.2226(6) 0.6679(4) 0.5864(6) 0.0383(18) Uani 0.38 1 d PD . 2
H11A H 0.2649 0.6827 0.5283 0.046 Uiso 0.38 1 calc PR . 2
C12A C 0.1533(15) 0.6089(6) 0.5425(15) 0.027(4) Uani 0.38 1 d PDU . 2
H12D H 0.1071 0.6203 0.4748 0.040 Uiso 0.38 1 calc PR . 2
H12E H 0.1030 0.5953 0.5931 0.040 Uiso 0.38 1 calc PR . 2
H12F H 0.2051 0.5733 0.5315 0.040 Uiso 0.38 1 calc PR . 2
C13A C 0.1512(19) 0.7245(8) 0.611(2) 0.037(6) Uani 0.38 1 d PDU . 2
H13D H 0.1063 0.7123 0.6665 0.055 Uiso 0.38 1 calc PR . 2
H13E H 0.0997 0.7370 0.5465 0.055 Uiso 0.38 1 calc PR . 2
H13F H 0.2010 0.7612 0.6350 0.055 Uiso 0.38 1 calc PR . 2
C14 C 0.6364(7) 0.6618(4) 0.7724(8) 0.047(2) Uani 1 1 d . . .
H14 H 0.6494 0.6763 0.7001 0.056 Uiso 1 1 calc R . .
C15 C 0.7161(8) 0.6041(5) 0.8034(12) 0.074(4) Uani 1 1 d . . .
H15A H 0.7015 0.5701 0.7493 0.111 Uiso 1 1 calc R . .
H15B H 0.7023 0.5869 0.8721 0.111 Uiso 1 1 calc R . .
H15C H 0.7957 0.6185 0.8087 0.111 Uiso 1 1 calc R . .
C16 C 0.6682(8) 0.7187(5) 0.8484(7) 0.060(3) Uani 1 1 d . . .
H16A H 0.6455 0.7087 0.9176 0.090 Uiso 1 1 calc R . .
H16B H 0.6286 0.7580 0.8194 0.090 Uiso 1 1 calc R . .
H16C H 0.7509 0.7258 0.8569 0.090 Uiso 1 1 calc R . .
C21 C 0.5082(10) 1.0000(5) 0.7584(8) 0.135(9) Uani 1 2 d SRDU . .
H21A H 0.5458 0.9584 0.7772 0.202 Uiso 0.50 1 calc PR . .
H21B H 0.4462 1.0064 0.8006 0.202 Uiso 0.50 1 calc PR . .
H21C H 0.5638 1.0353 0.7729 0.202 Uiso 0.50 1 calc PR . .
C22 C 0.4583(11) 1.0000(5) 0.6382(8) 0.162(14) Uani 1 2 d SRDU . .
H22A H 0.4077 0.9616 0.6274 0.194 Uiso 0.50 1 calc PR . .
H22B H 0.4077 1.0384 0.6274 0.194 Uiso 0.50 1 calc PR . .
C23 C 0.5180(12) 1.0000(5) 0.5570(8) 0.122(8) Uani 1 2 d SRDU . .
H23A H 0.5687 0.9617 0.5700 0.146 Uiso 0.50 1 calc PR . .
H23B H 0.5687 1.0383 0.5700 0.146 Uiso 0.50 1 calc PR . .
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'
Pb Pb -3.3944 10.1111 '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
P1 Pb1 P1 86.40(16) 6_565 . ?
P1 Pb1 P1 90.14(12) . 5_666 ?
P1 Pb1 P1 90.14(12) 6_565 2_656 ?
P1 Pb1 P1 74.47(14) 5_666 2_656 ?
P1 Pb2 P1 74.18(14) 6_565 . ?
P1 Pb2 P1 82.71(11) . 5_666 ?
P1 Pb2 P1 82.71(11) 6_565 2_656 ?
C1 P1 Pb1 126.20(18) . . ?
C1 P1 Pb1 111.84(17) . 5_666 ?
Pb1 P1 Pb1 89.86(12) . 5_666 ?
C1 P1 Pb2 117.17(17) . . ?
Pb1 P1 Pb2 89.79(10) 5_666 . ?
C1 P1 Pb2 115.33(16) . 5_666 ?
Pb1 P1 Pb2 95.71(11) . 5_666 ?
Pb2 P1 Pb2 97.29(11) . 5_666 ?
C2 C1 C2 118.4(9) . 2_656 ?
C2 C1 P1 114.1(4) . . ?
C2 C1 P1 122.3(4) 2_656 . ?
C2 C1 P1 122.3(4) . 2_656 ?
C2 C1 P1 114.1(4) 2_656 2_656 ?
C3 C2 C1 120.2(8) . . ?
C3 C2 C5 119.5(8) . . ?
C1 C2 C5 120.4(6) . . ?
C2 C3 C4 120.7(8) . . ?
C2 C3 H3 119.6 . . ?
C4 C3 H3 119.6 . . ?
C3 C4 C3 119.8(10) 2_656 . ?
C3 C4 H4 120.1 2_656 . ?
C3 C4 H4 120.1 . . ?
C6 C5 C10 121.3(7) . . ?
C6 C5 C2 119.2(7) . . ?
C10 C5 C2 119.5(7) . . ?
C7 C6 C5 117.6(7) . . ?
C7 C6 C11 119.8(7) . . ?
C5 C6 C11 122.6(7) . . ?
C8 C7 C6 121.4(8) . . ?
C8 C7 H7 119.3 . . ?
C6 C7 H7 119.3 . . ?
C9 C8 C7 120.4(9) . . ?
C9 C8 H8 119.8 . . ?
C7 C8 H8 119.8 . . ?
C8 C9 C10 120.7(7) . . ?
C8 C9 H9 119.7 . . ?
C10 C9 H9 119.7 . . ?
C5 C10 C9 118.5(7) . . ?
C5 C10 C14 123.1(8) . . ?
C9 C10 C14 118.3(8) . . ?
C12 C11 C13 117.8(10) . . ?
C12 C11 C6 113.5(9) . . ?
C13 C11 C6 110.3(8) . . ?
C12 C11 H11 104.6 . . ?
C13 C11 H11 104.6 . . ?
C6 C11 H11 104.6 . . ?
H12D C12A H12E 109.5 . . ?
H12D C12A H12F 109.5 . . ?
H12E C12A H12F 109.5 . . ?
H13D C13A H13E 109.5 . . ?
H13D C13A H13F 109.5 . . ?
H13E C13A H13F 109.5 . . ?
C10 C14 C16 110.7(7) . . ?
C10 C14 C15 113.8(8) . . ?
C16 C14 C15 110.2(8) . . ?
C10 C14 H14 107.3 . . ?
C16 C14 H14 107.3 . . ?
C15 C14 H14 107.3 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C22 C21 H21A 109.5 . . ?
C22 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C22 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C23 C22 C21 126.4(12) . . ?
C23 C22 H22A 105.7 . . ?
C21 C22 H22A 105.7 . . ?
C23 C22 H22B 105.7 . . ?
C21 C22 H22B 105.7 . . ?
H22A C22 H22B 106.2 . . ?
C22 C23 C23 131.5(12) . 5_676 ?
C22 C23 H23A 104.4 . . ?
C23 C23 H23A 104.4 5_676 . ?
C22 C23 H23B 104.4 . . ?
C23 C23 H23B 104.4 5_676 . ?
H23A C23 H23B 105.6 . . ?
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
Pb1 P1 2.312(3) 6_565 ?
Pb1 P1 2.312(3) . ?
Pb1 P1 2.616(3) 5_666 ?
Pb1 P1 2.616(3) 2_656 ?
Pb1 Pb1 3.487(3) 5_666 ?
Pb2 P1 2.625(3) 6_565 ?
Pb2 P1 2.625(3) . ?
Pb2 P1 2.666(3) 5_666 ?
Pb2 P1 2.666(3) 2_656 ?
P1 P1 1.483(8) 2_656 ?
P1 C1 1.905(10) . ?
P1 Pb1 2.616(3) 5_666 ?
P1 Pb2 2.666(3) 5_666 ?
C1 C2 1.422(9) . ?
C1 C2 1.422(9) 2_656 ?
C1 P1 1.905(10) 2_656 ?
C2 C3 1.373(9) . ?
C2 C5 1.500(12) . ?
C3 C4 1.396(11) . ?
C3 H3 0.9500 . ?
C4 C3 1.395(11) 2_656 ?
C4 H4 0.9500 . ?
C5 C6 1.404(11) . ?
C5 C10 1.404(11) . ?
C6 C7 1.400(11) . ?
C6 C11 1.513(11) . ?
C7 C8 1.389(11) . ?
C7 H7 0.9500 . ?
C8 C9 1.362(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.409(13) . ?
C9 H9 0.9500 . ?
C10 C14 1.510(12) . ?
C11 C12 1.474(10) . ?
C11 C13 1.501(9) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C12A H12D 0.9800 . ?
C12A H12E 0.9800 . ?
C12A H12F 0.9800 . ?
C13A H13D 0.9800 . ?
C13A H13E 0.9800 . ?
C13A H13F 0.9800 . ?
C14 C16 1.530(10) . ?
C14 C15 1.533(13) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C21 C22 1.558(14) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C23 1.336(17) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
C23 C23 1.453(18) 5_676 ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
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
P1 Pb1 P1 P1 95.55(18) 6_565 . . 2_656 ?
P1 Pb1 P1 P1 61.41(15) 5_666 . . 2_656 ?
Pb1 Pb1 P1 P1 61.41(15) 5_666 . . 2_656 ?
P1 Pb1 P1 C1 151.47(17) 6_565 . . . ?
P1 Pb1 P1 C1 117.3(3) 5_666 . . . ?
P1 Pb1 P1 C1 55.9(2) 2_656 . . . ?
Pb1 Pb1 P1 C1 117.3(3) 5_666 . . . ?
P1 Pb1 P1 Pb1 34.14(16) 6_565 . . 5_666 ?
P1 Pb1 P1 Pb1 0.0 5_666 . . 5_666 ?
P1 Pb1 P1 Pb1 -61.41(15) 2_656 . . 5_666 ?
P1 Pb1 P1 Pb2 123.8(4) 6_565 . . . ?
P1 Pb1 P1 Pb2 89.6(4) 5_666 . . . ?
P1 Pb1 P1 Pb2 28.2(4) 2_656 . . . ?
Pb1 Pb1 P1 Pb2 89.6(4) 5_666 . . . ?
P1 Pb1 P1 Pb2 24.17(18) 6_565 . . 5_666 ?
P1 Pb1 P1 Pb2 -9.97(5) 5_666 . . 5_666 ?
P1 Pb1 P1 Pb2 -71.37(17) 2_656 . . 5_666 ?
Pb1 Pb1 P1 Pb2 -9.97(5) 5_666 . . 5_666 ?
P1 Pb2 P1 P1 101.46(15) 6_565 . . 2_656 ?
P1 Pb2 P1 P1 69.36(16) 5_666 . . 2_656 ?
P1 Pb2 P1 C1 155.50(15) 6_565 . . . ?
P1 Pb2 P1 C1 123.4(2) 5_666 . . . ?
P1 Pb2 P1 C1 54.0(2) 2_656 . . . ?
P1 Pb2 P1 Pb1 -49.4(4) 6_565 . . . ?
P1 Pb2 P1 Pb1 -81.6(4) 5_666 . . . ?
P1 Pb2 P1 Pb1 -150.9(4) 2_656 . . . ?
P1 Pb2 P1 Pb1 40.90(14) 6_565 . . 5_666 ?
P1 Pb2 P1 Pb1 8.80(5) 5_666 . . 5_666 ?
P1 Pb2 P1 Pb1 -60.56(15) 2_656 . . 5_666 ?
P1 Pb2 P1 Pb2 32.10(14) 6_565 . . 5_666 ?
P1 Pb2 P1 Pb2 0.0 5_666 . . 5_666 ?
P1 Pb2 P1 Pb2 -69.36(16) 2_656 . . 5_666 ?
P1 P1 C1 C2 112.4(4) 2_656 . . . ?
Pb1 P1 C1 C2 49.0(5) . . . . ?
Pb1 P1 C1 C2 155.8(4) 5_666 . . . ?
Pb2 P1 C1 C2 54.2(5) . . . . ?
Pb2 P1 C1 C2 167.8(4) 5_666 . . . ?
P1 P1 C1 C2 -93.4(5) 2_656 . . 2_656 ?
Pb1 P1 C1 C2 -156.9(5) . . . 2_656 ?
Pb1 P1 C1 C2 -50.0(5) 5_666 . . 2_656 ?
Pb2 P1 C1 C2 -151.6(5) . . . 2_656 ?
Pb2 P1 C1 C2 -38.0(5) 5_666 . . 2_656 ?
Pb1 P1 C1 P1 -63.4(3) . . . 2_656 ?
Pb1 P1 C1 P1 43.42(16) 5_666 . . 2_656 ?
Pb2 P1 C1 P1 -58.2(2) . . . 2_656 ?
Pb2 P1 C1 P1 55.43(19) 5_666 . . 2_656 ?
C2 C1 C2 C3 -0.5(5) 2_656 . . . ?
P1 C1 C2 C3 154.7(6) . . . . ?
P1 C1 C2 C3 -153.7(6) 2_656 . . . ?
C2 C1 C2 C5 179.6(8) 2_656 . . . ?
P1 C1 C2 C5 -25.2(8) . . . . ?
P1 C1 C2 C5 26.5(9) 2_656 . . . ?
C1 C2 C3 C4 1.1(11) . . . . ?
C5 C2 C3 C4 -179.0(6) . . . . ?
C2 C3 C4 C3 -0.5(6) . . . 2_656 ?
C3 C2 C5 C6 87.8(9) . . . . ?
C1 C2 C5 C6 -92.3(8) . . . . ?
C3 C2 C5 C10 -90.1(9) . . . . ?
C1 C2 C5 C10 89.8(8) . . . . ?
C10 C5 C6 C7 -2.1(10) . . . . ?
C2 C5 C6 C7 -180.0(7) . . . . ?
C10 C5 C6 C11 178.2(6) . . . . ?
C2 C5 C6 C11 0.3(10) . . . . ?
C5 C6 C7 C8 1.4(12) . . . . ?
C11 C6 C7 C8 -178.8(7) . . . . ?
C6 C7 C8 C9 0.6(13) . . . . ?
C7 C8 C9 C10 -2.1(12) . . . . ?
C6 C5 C10 C9 0.7(10) . . . . ?
C2 C5 C10 C9 178.6(7) . . . . ?
C6 C5 C10 C14 -177.2(6) . . . . ?
C2 C5 C10 C14 0.7(10) . . . . ?
C8 C9 C10 C5 1.5(11) . . . . ?
C8 C9 C10 C14 179.4(7) . . . . ?
C7 C6 C11 C12 -84.6(12) . . . . ?
C5 C6 C11 C12 95.1(12) . . . . ?
C7 C6 C11 C13 50.1(11) . . . . ?
C5 C6 C11 C13 -130.2(9) . . . . ?
C5 C10 C14 C16 104.5(9) . . . . ?
C9 C10 C14 C16 -73.4(10) . . . . ?
C5 C10 C14 C15 -130.8(9) . . . . ?
C9 C10 C14 C15 51.3(11) . . . . ?
C21 C22 C23 C23 180.0(10) . . . 5_676 ?
