#------------------------------------------------------------------------------
#$Date: 2021-12-03 22:43:58 +0200 (Fri, 03 Dec 2021) $
#$Revision: 271026 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/91/4519151.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_4519151
loop_
_publ_author_name
'Cao, Hou-ji'
'Chen, Meng'
'Sun, Fangxiang'
'Zhao, Yue'
'Lu, Changsheng'
'Zhang, Xiaolei'
'Shi, Zhuangzhi'
'Yan, Hong'
_publ_section_title
;
 Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed
 B--H Poly-arylation of Carboranes
;
_journal_issue                   22
_journal_name_full               'ACS Catalysis'
_journal_page_first              14047
_journal_page_last               14057
_journal_paper_doi               10.1021/acscatal.1c04473
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C43 H42 B10 N O5 P Pd'
_chemical_formula_sum            'C43 H42 B10 N O5 P Pd'
_chemical_formula_weight         898.24
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2021-01-23
_audit_creation_method
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6226)
;
_cell_angle_alpha                90
_cell_angle_beta                 102.143(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.4750(11)
_cell_length_b                   25.5038(19)
_cell_length_c                   16.9662(12)
_cell_measurement_reflns_used    15038
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.51
_cell_measurement_theta_min      2.014
_cell_volume                     6546.3(8)
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2016/6 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296.15
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1768
_diffrn_reflns_av_unetI/netI     0.1811
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            58879
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.510
_diffrn_reflns_theta_min         2.014
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    0.338
_exptl_absorpt_correction_T_max  0.967
_exptl_absorpt_correction_T_min  0.96
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0778 before and 0.0591 after correction.
The Ratio of minimum to maximum transmission is 0.9024.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            orange
_exptl_crystal_colour_primary    orange
_exptl_crystal_density_diffrn    0.911
_exptl_crystal_description       block
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.060
_refine_diff_density_min         -0.934
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.979
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     552
_refine_ls_number_reflns         14999
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.979
_refine_ls_R_factor_all          0.1714
_refine_ls_R_factor_gt           0.0747
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1001P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1846
_refine_ls_wR_factor_ref         0.2321
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6613
_reflns_number_total             14999
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cs1c04473_si_002.cif
_cod_data_source_block           11
_cod_database_code               4519151
_shelx_shelxl_version_number     2016/6
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.967
_shelx_estimated_absorpt_t_min   0.961
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All B(H) groups, All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C6(H6), C11(H11), C12(H12), C13(H13), C14(H14),
 C15(H15), C20(H20), C22(H22), C23(H23), C24(H24), C26(H26), C27(H27), C28(H28),
  C29(H29), C30(H30), C32(H32), C33(H33), C34(H34), C35(H35), C36(H36),
 C38(H38), C39(H39), C40(H40), C41(H41), C42(H42)
2.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C18(H18A,H18B,H18C)
2.c Boron cage BH refined with riding coordinates:
 C43(H43), B3(H3A), B6(H6A), B7(H7), B8(H8), B9(H9), B10(H10), B11(H11A)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd -0.68417(3) 0.10567(2) 0.37342(3) 0.03103(15) Uani 1 1 d . . . . .
P1 P -0.69961(11) 0.19326(7) 0.37741(11) 0.0332(4) Uani 1 1 d . . . . .
O1 O -0.5106(3) -0.04105(19) 0.4129(3) 0.0458(13) Uani 1 1 d . . . . .
O2 O -0.2921(4) -0.1309(2) 0.1004(3) 0.0623(16) Uani 1 1 d . . . . .
O3 O -0.2280(3) -0.0923(2) 0.2179(3) 0.0557(15) Uani 1 1 d . . . . .
O4 O -1.0755(4) 0.0314(2) 0.4172(4) 0.0638(16) Uani 1 1 d . . . . .
O5 O -1.0596(3) -0.0531(2) 0.3829(3) 0.0572(15) Uani 1 1 d . . . . .
N1 N -0.6591(3) 0.0225(2) 0.3694(3) 0.0300(12) Uani 1 1 d . . . . .
C1 C -0.6645(4) 0.0375(3) 0.2302(4) 0.0372(16) Uani 1 1 d . . . . .
C2 C -0.5265(4) -0.0104(3) 0.1643(4) 0.0366(16) Uani 1 1 d . . . . .
C3 C -0.4601(5) -0.0164(3) 0.2322(4) 0.048(2) Uani 1 1 d . . . . .
H3 H -0.464814 0.001187 0.279145 0.058 Uiso 1 1 calc R U . . .
C4 C -0.5185(5) -0.0411(3) 0.0970(4) 0.0447(18) Uani 1 1 d . . . . .
H4 H -0.563773 -0.040558 0.051309 0.054 Uiso 1 1 calc R U . . .
C5 C -0.3863(5) -0.0478(3) 0.2329(4) 0.050(2) Uani 1 1 d . . . . .
H5 H -0.342860 -0.050751 0.279771 0.060 Uiso 1 1 calc R U . . .
C6 C -0.4465(5) -0.0714(3) 0.0974(5) 0.050(2) Uani 1 1 d . . . . .
H6 H -0.443121 -0.090579 0.051489 0.060 Uiso 1 1 calc R U . . .
C7 C -0.3772(5) -0.0745(3) 0.1648(4) 0.0403(17) Uani 1 1 d . . . . .
C8 C -0.2971(5) -0.1031(3) 0.1564(5) 0.0448(18) Uani 1 1 d . . . . .
C9 C -0.1466(6) -0.1175(4) 0.2115(6) 0.076(3) Uani 1 1 d . . . . .
H9A H -0.134968 -0.111298 0.158868 0.114 Uiso 1 1 calc R U . . .
H9B H -0.151445 -0.154578 0.219653 0.114 Uiso 1 1 calc R U . . .
H9C H -0.098988 -0.103615 0.251649 0.114 Uiso 1 1 calc R U . . .
C10 C -0.8473(4) 0.0365(3) 0.2432(4) 0.0356(16) Uani 1 1 d . . . . .
C11 C -0.8998(5) 0.0755(3) 0.2698(5) 0.050(2) Uani 1 1 d . . . . .
H11 H -0.891441 0.110594 0.258247 0.061 Uiso 1 1 calc R U . . .
C12 C -0.8629(4) -0.0154(3) 0.2599(4) 0.0419(18) Uani 1 1 d . . . . .
H12 H -0.832155 -0.041742 0.239655 0.050 Uiso 1 1 calc R U . . .
C13 C -0.6489(4) 0.0033(3) 0.3030(4) 0.0380(17) Uani 1 1 d . . . . .
H13 H -0.632051 -0.031467 0.299847 0.046 Uiso 1 1 calc R U . . .
C14 C -0.9637(5) 0.0621(3) 0.3129(4) 0.0468(19) Uani 1 1 d . . . . .
H14 H -0.999379 0.088005 0.327986 0.056 Uiso 1 1 calc R U . . .
C15 C -0.9230(5) -0.0287(3) 0.3061(5) 0.0483(19) Uani 1 1 d . . . . .
H15 H -0.929523 -0.063722 0.319110 0.058 Uiso 1 1 calc R U . . .
C16 C -0.9746(5) 0.0096(3) 0.3339(4) 0.0415(17) Uani 1 1 d . . . . .
C17 C -1.0402(5) -0.0010(3) 0.3839(5) 0.052(2) Uani 1 1 d . . . . .
C18 C -1.1255(5) -0.0663(3) 0.4278(5) 0.062(2) Uani 1 1 d . . . . .
H18A H -1.180652 -0.050278 0.402986 0.093 Uiso 1 1 calc R U . . .
H18B H -1.107235 -0.053671 0.482079 0.093 Uiso 1 1 calc R U . . .
H18C H -1.132578 -0.103653 0.428412 0.093 Uiso 1 1 calc R U . . .
C19 C -0.6486(5) -0.0131(3) 0.4368(4) 0.0368(16) Uani 1 1 d . . . . .
C20 C -0.7158(5) -0.0161(3) 0.4778(4) 0.0452(19) Uani 1 1 d . . . . .
H20 H -0.765531 0.004998 0.462581 0.054 Uiso 1 1 calc R U . . .
C21 C -0.5749(5) -0.0450(3) 0.4582(4) 0.0375(17) Uani 1 1 d . . . . .
C22 C -0.7101(5) -0.0505(3) 0.5417(5) 0.049(2) Uani 1 1 d . . . . .
H22 H -0.755954 -0.053402 0.569194 0.059 Uiso 1 1 calc R U . . .
C23 C -0.5672(5) -0.0769(3) 0.5242(4) 0.0450(19) Uani 1 1 d . . . . .
H23 H -0.515772 -0.096143 0.541957 0.054 Uiso 1 1 calc R U . . .
C24 C -0.6343(5) -0.0803(3) 0.5637(4) 0.050(2) Uani 1 1 d . . . . .
H24 H -0.629283 -0.103458 0.606797 0.060 Uiso 1 1 calc R U . . .
C25 C -0.6011(5) 0.2182(3) 0.4427(4) 0.0422(18) Uani 1 1 d . . . . .
C26 C -0.5971(5) 0.2461(3) 0.5124(5) 0.0487(19) Uani 1 1 d . . . . .
H26 H -0.649372 0.255058 0.527915 0.058 Uiso 1 1 calc R U . . .
C27 C -0.5175(6) 0.2614(3) 0.5601(5) 0.064(2) Uani 1 1 d . . . . .
H27 H -0.517107 0.279860 0.607433 0.077 Uiso 1 1 calc R U . . .
C28 C -0.4395(6) 0.2497(4) 0.5389(6) 0.078(3) Uani 1 1 d . . . . .
H28 H -0.386216 0.260226 0.571360 0.094 Uiso 1 1 calc R U . . .
C29 C -0.4405(6) 0.2222(3) 0.4686(6) 0.074(3) Uani 1 1 d . . . . .
H29 H -0.387671 0.214403 0.453234 0.089 Uiso 1 1 calc R U . . .
C30 C -0.5209(5) 0.2061(3) 0.4204(5) 0.050(2) Uani 1 1 d . . . . .
H30 H -0.521323 0.187257 0.373327 0.060 Uiso 1 1 calc R U . . .
C31 C -0.7962(4) 0.2115(3) 0.4177(4) 0.0327(15) Uani 1 1 d . . . . .
C32 C -0.8554(5) 0.1743(3) 0.4297(4) 0.0431(18) Uani 1 1 d . . . . .
H32 H -0.843030 0.139112 0.422660 0.052 Uiso 1 1 calc R U . . .
C33 C -0.9338(5) 0.1880(3) 0.4521(5) 0.053(2) Uani 1 1 d . . . . .
H33 H -0.973637 0.162154 0.459996 0.063 Uiso 1 1 calc R U . . .
C34 C -0.9522(5) 0.2406(3) 0.4626(5) 0.059(2) Uani 1 1 d . . . . .
H34 H -1.005642 0.250110 0.475422 0.071 Uiso 1 1 calc R U . . .
C35 C -0.8918(5) 0.2788(3) 0.4542(5) 0.055(2) Uani 1 1 d . . . . .
H35 H -0.902365 0.313753 0.464538 0.066 Uiso 1 1 calc R U . . .
C36 C -0.8132(5) 0.2639(3) 0.4295(4) 0.0437(18) Uani 1 1 d . . . . .
H36 H -0.773103 0.289415 0.421138 0.052 Uiso 1 1 calc R U . . .
C37 C -0.7144(5) 0.2374(3) 0.2895(4) 0.0407(18) Uani 1 1 d . . . . .
C38 C -0.7970(5) 0.2359(3) 0.2354(4) 0.0444(19) Uani 1 1 d . . . . .
H38 H -0.841755 0.214077 0.245236 0.053 Uiso 1 1 calc R U . . .
C39 C -0.8105(6) 0.2669(3) 0.1682(5) 0.058(2) Uani 1 1 d . . . . .
H39 H -0.865248 0.266492 0.132706 0.070 Uiso 1 1 calc R U . . .
C40 C -0.7439(7) 0.2988(3) 0.1523(5) 0.066(3) Uani 1 1 d . . . . .
H40 H -0.753395 0.318836 0.105451 0.079 Uiso 1 1 calc R U . . .
C41 C -0.6649(6) 0.3009(3) 0.2047(5) 0.057(2) Uani 1 1 d . . . . .
H41 H -0.620674 0.322839 0.194192 0.069 Uiso 1 1 calc R U . . .
C42 C -0.6494(5) 0.2703(3) 0.2749(5) 0.0477(19) Uani 1 1 d . . . . .
H42 H -0.595343 0.272181 0.311299 0.057 Uiso 1 1 calc R U . . .
C43 C -0.7065(4) 0.1113(3) 0.0861(4) 0.0408(17) Uani 1 1 d . . . . .
H43 H -0.721561 0.137887 0.034025 0.049 Uiso 1 1 calc R U . . .
B2 B -0.6038(5) 0.0299(3) 0.1590(5) 0.041(2) Uani 1 1 d . . . . .
B3 B -0.7182(5) 0.0112(3) 0.1413(5) 0.040(2) Uani 1 1 d . . . . .
H3A H -0.738753 -0.030025 0.131427 0.048 Uiso 1 1 calc R U . . .
B4 B -0.7738(5) 0.0546(3) 0.1981(5) 0.0357(19) Uani 1 1 d . . . . .
B5 B -0.6941(4) 0.1017(3) 0.2484(5) 0.0327(18) Uani 1 1 d . . . . .
B6 B -0.5892(5) 0.0853(3) 0.2256(5) 0.0375(19) Uani 1 1 d . . . . .
H6A H -0.527024 0.091489 0.269806 0.045 Uiso 1 1 calc R U . . .
B7 B -0.6787(5) 0.0484(3) 0.0678(5) 0.043(2) Uani 1 1 d . . . . .
H7 H -0.674057 0.032266 0.008691 0.052 Uiso 1 1 calc R U . . .
B8 B -0.7825(6) 0.0631(3) 0.0916(5) 0.048(2) Uani 1 1 d . . . . .
H8 H -0.844657 0.056584 0.047513 0.057 Uiso 1 1 calc R U . . .
B9 B -0.7660(5) 0.1182(3) 0.1599(5) 0.040(2) Uani 1 1 d . . . . .
H9 H -0.818646 0.147201 0.159796 0.048 Uiso 1 1 calc R U . . .
B10 B -0.6544(5) 0.1374(3) 0.1745(5) 0.042(2) Uani 1 1 d . . . . .
H10 H -0.633962 0.178669 0.183187 0.051 Uiso 1 1 calc R U . . .
B11 B -0.6013(6) 0.0944(3) 0.1202(5) 0.043(2) Uani 1 1 d . . . . .
H11A H -0.546047 0.108032 0.094039 0.051 Uiso 1 1 calc R U . . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Pd Pd -0.9988 1.0072 '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
N1 Pd1 P1 175.72(14) . . ?
B5 Pd1 P1 95.3(2) . . ?
B5 Pd1 N1 84.0(2) . . ?
C25 P1 Pd1 106.7(2) . . ?
C25 P1 C31 109.4(3) . . ?
C25 P1 C37 103.1(3) . . ?
C31 P1 Pd1 111.3(2) . . ?
C31 P1 C37 100.1(3) . . ?
C37 P1 Pd1 125.3(2) . . ?
C8 O3 C9 114.3(6) . . ?
C17 O5 C18 113.6(6) . . ?
C13 N1 Pd1 117.6(5) . . ?
C13 N1 C19 116.6(6) . . ?
C19 N1 Pd1 125.7(4) . . ?
C13 C1 B2 120.6(6) . . ?
C13 C1 B3 117.9(6) . . ?
C13 C1 B4 112.8(5) . . ?
C13 C1 B5 113.9(5) . . ?
C13 C1 B6 117.7(6) . . ?
B2 C1 B3 64.0(4) . . ?
B2 C1 B4 117.4(5) . . ?
B2 C1 B5 116.1(5) . . ?
B2 C1 B6 63.9(4) . . ?
B3 C1 B4 63.6(4) . . ?
B3 C1 B5 115.5(6) . . ?
B4 C1 B5 62.7(4) . . ?
B6 C1 B3 117.0(5) . . ?
B6 C1 B4 116.2(6) . . ?
B6 C1 B5 62.8(4) . . ?
C3 C2 C4 115.9(6) . . ?
C3 C2 B2 123.0(6) . . ?
C4 C2 B2 120.9(7) . . ?
C2 C3 H3 118.8 . . ?
C2 C3 C5 122.3(7) . . ?
C5 C3 H3 118.8 . . ?
C2 C4 H4 119.2 . . ?
C6 C4 C2 121.7(7) . . ?
C6 C4 H4 119.2 . . ?
C3 C5 H5 119.8 . . ?
C7 C5 C3 120.5(7) . . ?
C7 C5 H5 119.8 . . ?
C4 C6 H6 119.2 . . ?
C4 C6 C7 121.6(7) . . ?
C7 C6 H6 119.2 . . ?
C5 C7 C6 117.7(7) . . ?
C5 C7 C8 124.4(7) . . ?
C6 C7 C8 117.8(6) . . ?
O2 C8 O3 123.9(7) . . ?
O2 C8 C7 124.4(8) . . ?
O3 C8 C7 111.6(6) . . ?
O3 C9 H9A 109.5 . . ?
O3 C9 H9B 109.5 . . ?
O3 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 B4 118.2(6) . . ?
C12 C10 C11 118.0(6) . . ?
C12 C10 B4 123.9(6) . . ?
C10 C11 H11 119.6 . . ?
C14 C11 C10 120.9(7) . . ?
C14 C11 H11 119.6 . . ?
C10 C12 H12 119.3 . . ?
C15 C12 C10 121.3(7) . . ?
C15 C12 H12 119.3 . . ?
N1 C13 C1 118.9(6) . . ?
N1 C13 H13 120.6 . . ?
C1 C13 H13 120.6 . . ?
C11 C14 H14 119.9 . . ?
C11 C14 C16 120.3(7) . . ?
C16 C14 H14 119.9 . . ?
C12 C15 H15 119.4 . . ?
C12 C15 C16 121.2(7) . . ?
C16 C15 H15 119.4 . . ?
C14 C16 C15 118.2(7) . . ?
C14 C16 C17 117.0(7) . . ?
C15 C16 C17 124.9(7) . . ?
O4 C17 O5 123.9(7) . . ?
O4 C17 C16 125.5(7) . . ?
O5 C17 C16 110.4(7) . . ?
O5 C18 H18A 109.5 . . ?
O5 C18 H18B 109.5 . . ?
O5 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C20 C19 N1 117.9(6) . . ?
C20 C19 C21 120.4(6) . . ?
C21 C19 N1 121.7(6) . . ?
C19 C20 H20 119.9 . . ?
C19 C20 C22 120.3(7) . . ?
C22 C20 H20 119.9 . . ?
O1 C21 C19 117.5(6) . . ?
C23 C21 O1 123.3(6) . . ?
C23 C21 C19 119.2(7) . . ?
C20 C22 H22 121.0 . . ?
C20 C22 C24 118.1(7) . . ?
C24 C22 H22 121.0 . . ?
C21 C23 H23 120.0 . . ?
C24 C23 C21 120.0(7) . . ?
C24 C23 H23 120.0 . . ?
C22 C24 H24 119.1 . . ?
C23 C24 C22 121.8(7) . . ?
C23 C24 H24 119.1 . . ?
C26 C25 P1 126.4(6) . . ?
C26 C25 C30 117.7(7) . . ?
C30 C25 P1 115.9(6) . . ?
C25 C26 H26 119.2 . . ?
C25 C26 C27 121.7(7) . . ?
C27 C26 H26 119.2 . . ?
C26 C27 H27 119.5 . . ?
C28 C27 C26 121.0(8) . . ?
C28 C27 H27 119.5 . . ?
C27 C28 H28 120.3 . . ?
C27 C28 C29 119.3(8) . . ?
C29 C28 H28 120.3 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 120.0(8) . . ?
C30 C29 H29 120.0 . . ?
C25 C30 H30 119.9 . . ?
C29 C30 C25 120.3(8) . . ?
C29 C30 H30 119.9 . . ?
C32 C31 P1 120.4(5) . . ?
C32 C31 C36 119.8(6) . . ?
C36 C31 P1 119.6(5) . . ?
C31 C32 H32 119.4 . . ?
C31 C32 C33 121.2(7) . . ?
C33 C32 H32 119.4 . . ?
C32 C33 H33 120.3 . . ?
C32 C33 C34 119.4(7) . . ?
C34 C33 H33 120.3 . . ?
C33 C34 H34 119.8 . . ?
C35 C34 C33 120.5(7) . . ?
C35 C34 H34 119.8 . . ?
C34 C35 H35 120.5 . . ?
C34 C35 C36 119.0(7) . . ?
C36 C35 H35 120.5 . . ?
C31 C36 C35 120.1(7) . . ?
C31 C36 H36 120.0 . . ?
C35 C36 H36 120.0 . . ?
C38 C37 P1 116.9(5) . . ?
C42 C37 P1 123.2(6) . . ?
C42 C37 C38 119.9(7) . . ?
C37 C38 H38 120.4 . . ?
C39 C38 C37 119.1(7) . . ?
C39 C38 H38 120.4 . . ?
C38 C39 H39 119.6 . . ?
C38 C39 C40 120.9(8) . . ?
C40 C39 H39 119.6 . . ?
C39 C40 H40 119.9 . . ?
C41 C40 C39 120.1(8) . . ?
C41 C40 H40 119.9 . . ?
C40 C41 H41 119.8 . . ?
C40 C41 C42 120.4(8) . . ?
C42 C41 H41 119.8 . . ?
C37 C42 C41 119.5(8) . . ?
C37 C42 H42 120.2 . . ?
C41 C42 H42 120.2 . . ?
B7 C43 H43 116.9 . . ?
B7 C43 B8 62.5(5) . . ?
B7 C43 B9 115.2(6) . . ?
B8 C43 H43 117.0 . . ?
B9 C43 H43 117.9 . . ?
B9 C43 B8 63.5(5) . . ?
B10 C43 H43 116.9 . . ?
B10 C43 B7 116.3(6) . . ?
B10 C43 B8 116.1(6) . . ?
B10 C43 B9 62.5(4) . . ?
B11 C43 H43 117.7 . . ?
B11 C43 B7 63.6(5) . . ?
B11 C43 B8 115.3(6) . . ?
B11 C43 B9 114.2(5) . . ?
B11 C43 B10 62.8(5) . . ?
C1 B2 B3 58.2(4) . . ?
C1 B2 B6 58.3(4) . . ?
C1 B2 B7 103.3(6) . . ?
C1 B2 B11 102.5(6) . . ?
C2 B2 C1 124.6(6) . . ?
C2 B2 B3 123.4(6) . . ?
C2 B2 B6 119.2(6) . . ?
C2 B2 B7 124.8(6) . . ?
C2 B2 B11 123.6(6) . . ?
B6 B2 B3 107.7(5) . . ?
B7 B2 B3 59.3(5) . . ?
B7 B2 B6 108.0(6) . . ?
B11 B2 B3 106.3(6) . . ?
B11 B2 B6 59.6(5) . . ?
B11 B2 B7 59.7(5) . . ?
C1 B3 B2 57.7(4) . . ?
C1 B3 H3A 125.7 . . ?
C1 B3 B4 58.8(4) . . ?
C1 B3 B7 103.6(6) . . ?
C1 B3 B8 104.4(6) . . ?
B2 B3 H3A 121.5 . . ?
B2 B3 B4 108.2(5) . . ?
B4 B3 H3A 120.9 . . ?
B7 B3 B2 60.2(5) . . ?
B7 B3 H3A 122.3 . . ?
B7 B3 B4 108.7(6) . . ?
B8 B3 B2 108.5(6) . . ?
B8 B3 H3A 122.0 . . ?
B8 B3 B4 60.5(5) . . ?
B8 B3 B7 60.3(5) . . ?
C1 B4 B3 57.6(4) . . ?
C1 B4 B5 59.3(4) . . ?
C1 B4 B8 102.1(5) . . ?
C1 B4 B9 102.2(5) . . ?
C10 B4 C1 122.4(6) . . ?
C10 B4 B3 123.8(6) . . ?
C10 B4 B5 117.3(6) . . ?
C10 B4 B8 128.2(6) . . ?
C10 B4 B9 124.4(6) . . ?
B3 B4 B5 107.8(5) . . ?
B8 B4 B3 58.6(4) . . ?
B8 B4 B5 107.2(6) . . ?
B9 B4 B3 107.0(6) . . ?
B9 B4 B5 57.8(4) . . ?
B9 B4 B8 61.0(5) . . ?
C1 B5 Pd1 105.0(4) . . ?
C1 B5 B4 58.0(4) . . ?
C1 B5 B6 57.3(4) . . ?
C1 B5 B10 102.4(5) . . ?
B4 B5 Pd1 114.1(4) . . ?
B6 B5 Pd1 110.6(5) . . ?
B6 B5 B4 107.6(5) . . ?
B9 B5 Pd1 140.0(5) . . ?
B9 B5 C1 102.7(5) . . ?
B9 B5 B4 59.8(4) . . ?
B9 B5 B6 108.5(6) . . ?
B9 B5 B10 60.7(5) . . ?
B10 B5 Pd1 137.1(5) . . ?
B10 B5 B4 108.3(6) . . ?
B10 B5 B6 60.0(4) . . ?
C1 B6 B2 57.8(4) . . ?
C1 B6 B5 59.8(4) . . ?
C1 B6 H6A 125.6 . . ?
C1 B6 B10 103.5(6) . . ?
C1 B6 B11 102.2(5) . . ?
B2 B6 B5 108.7(5) . . ?
B2 B6 H6A 121.3 . . ?
B5 B6 H6A 121.3 . . ?
B10 B6 B2 107.4(6) . . ?
B10 B6 B5 59.0(4) . . ?
B10 B6 H6A 123.3 . . ?
B11 B6 B2 59.7(4) . . ?
B11 B6 B5 106.1(6) . . ?
B11 B6 H6A 124.1 . . ?
B11 B6 B10 58.8(5) . . ?
C43 B7 B2 103.4(6) . . ?
C43 B7 B3 103.7(6) . . ?
C43 B7 H7 125.8 . . ?
C43 B7 B8 59.0(4) . . ?
C43 B7 B11 57.1(4) . . ?
B2 B7 H7 122.3 . . ?
B3 B7 B2 60.5(5) . . ?
B3 B7 H7 122.6 . . ?
B3 B7 B8 59.5(5) . . ?
B3 B7 B11 107.3(6) . . ?
B8 B7 B2 108.1(6) . . ?
B8 B7 H7 121.5 . . ?
B11 B7 B2 59.7(5) . . ?
B11 B7 H7 122.4 . . ?
B11 B7 B8 107.0(6) . . ?
C43 B8 B3 103.9(6) . . ?
C43 B8 B4 103.5(6) . . ?
C43 B8 B7 58.4(4) . . ?
C43 B8 H8 125.6 . . ?
C43 B8 B9 58.1(4) . . ?
B3 B8 B4 60.9(5) . . ?
B3 B8 B7 60.2(5) . . ?
B3 B8 H8 122.5 . . ?
B3 B8 B9 106.8(6) . . ?
B4 B8 H8 122.4 . . ?
B4 B8 B9 58.5(4) . . ?
B7 B8 B4 108.9(6) . . ?
B7 B8 H8 121.1 . . ?
B7 B8 B9 107.3(6) . . ?
B9 B8 H8 122.7 . . ?
C43 B9 B4 105.2(6) . . ?
C43 B9 B5 105.3(6) . . ?
C43 B9 B8 58.3(4) . . ?
C43 B9 H9 125.5 . . ?
C43 B9 B10 58.0(4) . . ?
B4 B9 B8 60.5(5) . . ?
B4 B9 H9 120.8 . . ?
B4 B9 B10 110.2(6) . . ?
B5 B9 B4 62.4(4) . . ?
B5 B9 B8 110.3(6) . . ?
B5 B9 H9 120.6 . . ?
B5 B9 B10 60.7(4) . . ?
B8 B9 H9 121.1 . . ?
B10 B9 B8 108.0(6) . . ?
B10 B9 H9 121.2 . . ?
C43 B10 B5 104.8(6) . . ?
C43 B10 B6 104.7(6) . . ?
C43 B10 B9 59.6(4) . . ?
C43 B10 H10 124.7 . . ?
C43 B10 B11 58.1(5) . . ?
B5 B10 B6 60.9(4) . . ?
B5 B10 H10 122.2 . . ?
B6 B10 H10 122.1 . . ?
B9 B10 B5 58.5(4) . . ?
B9 B10 B6 107.4(6) . . ?
B9 B10 H10 122.0 . . ?
B11 B10 B5 108.9(6) . . ?
B11 B10 B6 60.4(5) . . ?
B11 B10 B9 107.9(6) . . ?
B11 B10 H10 121.2 . . ?
C43 B11 B2 105.8(6) . . ?
C43 B11 B6 105.8(5) . . ?
C43 B11 B7 59.3(5) . . ?
C43 B11 B10 59.1(5) . . ?
C43 B11 H11A 124.3 . . ?
B2 B11 B7 60.6(5) . . ?
B2 B11 H11A 121.5 . . ?
B6 B11 B2 60.7(4) . . ?
B6 B11 B7 109.6(6) . . ?
B6 B11 H11A 121.5 . . ?
B7 B11 H11A 120.5 . . ?
B10 B11 B2 109.8(6) . . ?
B10 B11 B6 60.8(5) . . ?
B10 B11 B7 109.7(6) . . ?
B10 B11 H11A 120.4 . . ?
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
Pd1 P1 2.2492(18) . ?
Pd1 N1 2.160(5) . ?
Pd1 B5 2.097(8) . ?
P1 C25 1.801(7) . ?
P1 C31 1.830(6) . ?
P1 C37 1.843(7) . ?
O1 C21 1.382(8) . ?
O2 C8 1.201(8) . ?
O3 C8 1.355(9) . ?
O3 C9 1.439(8) . ?
O4 C17 1.198(9) . ?
O5 C17 1.362(9) . ?
O5 C18 1.435(8) . ?
N1 C13 1.267(7) . ?
N1 C19 1.443(7) . ?
C1 C13 1.489(9) . ?
C1 B2 1.690(9) . ?
C1 B3 1.700(10) . ?
C1 B4 1.721(10) . ?
C1 B5 1.746(10) . ?
C1 B6 1.699(10) . ?
C2 C3 1.382(9) . ?
C2 C4 1.410(9) . ?
C2 B2 1.565(10) . ?
C3 H3 0.9300 . ?
C3 C5 1.393(9) . ?
C4 H4 0.9300 . ?
C4 C6 1.354(9) . ?
C5 H5 0.9300 . ?
C5 C7 1.372(9) . ?
C6 H6 0.9300 . ?
C6 C7 1.396(10) . ?
C7 C8 1.472(9) . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.418(9) . ?
C10 C12 1.385(9) . ?
C10 B4 1.567(10) . ?
C11 H11 0.9300 . ?
C11 C14 1.392(9) . ?
C12 H12 0.9300 . ?
C12 C15 1.380(9) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C14 C16 1.404(9) . ?
C15 H15 0.9300 . ?
C15 C16 1.405(9) . ?
C16 C17 1.478(9) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 C20 1.369(9) . ?
C19 C21 1.386(9) . ?
C20 H20 0.9300 . ?
C20 C22 1.382(9) . ?
C21 C23 1.369(9) . ?
C22 H22 0.9300 . ?
C22 C24 1.383(10) . ?
C23 H23 0.9300 . ?
C23 C24 1.351(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.371(9) . ?
C25 C30 1.406(9) . ?
C26 H26 0.9300 . ?
C26 C27 1.379(10) . ?
C27 H27 0.9300 . ?
C27 C28 1.363(11) . ?
C28 H28 0.9300 . ?
C28 C29 1.382(12) . ?
C29 H29 0.9300 . ?
C29 C30 1.399(11) . ?
C30 H30 0.9300 . ?
C31 C32 1.363(9) . ?
C31 C36 1.385(9) . ?
C32 H32 0.9300 . ?
C32 C33 1.391(9) . ?
C33 H33 0.9300 . ?
C33 C34 1.392(10) . ?
C34 H34 0.9300 . ?
C34 C35 1.378(11) . ?
C35 H35 0.9300 . ?
C35 C36 1.419(9) . ?
C36 H36 0.9300 . ?
C37 C38 1.409(10) . ?
C37 C42 1.372(9) . ?
C38 H38 0.9300 . ?
C38 C39 1.366(9) . ?
C39 H39 0.9300 . ?
C39 C40 1.385(11) . ?
C40 H40 0.9300 . ?
C40 C41 1.353(11) . ?
C41 H41 0.9300 . ?
C41 C42 1.402(10) . ?
C42 H42 0.9300 . ?
C43 H43 1.1000 . ?
C43 B7 1.706(10) . ?
C43 B8 1.717(11) . ?
C43 B9 1.712(10) . ?
C43 B10 1.683(11) . ?
C43 B11 1.665(11) . ?
B2 B3 1.797(11) . ?
B2 B6 1.793(11) . ?
B2 B7 1.791(12) . ?
B2 B11 1.775(11) . ?
B3 H3A 1.1000 . ?
B3 B4 1.802(11) . ?
B3 B7 1.774(11) . ?
B3 B8 1.761(12) . ?
B4 B5 1.803(10) . ?
B4 B8 1.796(12) . ?
B4 B9 1.760(11) . ?
B5 B6 1.796(10) . ?
B5 B9 1.722(11) . ?
B5 B10 1.762(11) . ?
B6 H6A 1.1000 . ?
B6 B10 1.780(12) . ?
B6 B11 1.773(11) . ?
B7 H7 1.1000 . ?
B7 B8 1.777(12) . ?
B7 B11 1.776(12) . ?
B8 H8 1.1000 . ?
B8 B9 1.806(12) . ?
B9 H9 1.1000 . ?
B9 B10 1.761(11) . ?
B10 H10 1.1000 . ?
B10 B11 1.745(11) . ?
B11 H11A 1.1000 . ?
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
Pd1 P1 C25 C26 -120.1(6) . . . . ?
Pd1 P1 C25 C30 58.0(6) . . . . ?
Pd1 P1 C31 C32 -9.7(6) . . . . ?
Pd1 P1 C31 C36 176.0(5) . . . . ?
Pd1 P1 C37 C38 72.4(6) . . . . ?
Pd1 P1 C37 C42 -106.9(6) . . . . ?
Pd1 N1 C13 C1 -6.6(8) . . . . ?
Pd1 N1 C19 C20 56.7(8) . . . . ?
Pd1 N1 C19 C21 -125.9(6) . . . . ?
Pd1 B5 B6 C1 95.0(5) . . . . ?
Pd1 B5 B6 B2 127.1(5) . . . . ?
Pd1 B5 B6 B10 -133.4(5) . . . . ?
Pd1 B5 B6 B11 -170.0(4) . . . . ?
Pd1 B5 B9 C43 168.1(6) . . . . ?
Pd1 B5 B9 B4 -92.4(7) . . . . ?
Pd1 B5 B9 B8 -130.5(7) . . . . ?
Pd1 B5 B9 B10 129.7(8) . . . . ?
Pd1 B5 B10 C43 -172.5(5) . . . . ?
Pd1 B5 B10 B6 88.7(7) . . . . ?
Pd1 B5 B10 B9 -133.4(8) . . . . ?
Pd1 B5 B10 B11 126.7(7) . . . . ?
P1 C25 C26 C27 177.0(6) . . . . ?
P1 C25 C30 C29 -178.0(6) . . . . ?
P1 C31 C32 C33 -173.1(6) . . . . ?
P1 C31 C36 C35 174.7(6) . . . . ?
P1 C37 C38 C39 -178.4(6) . . . . ?
P1 C37 C42 C41 177.3(6) . . . . ?
O1 C21 C23 C24 -177.3(7) . . . . ?
N1 C19 C20 C22 178.5(6) . . . . ?
N1 C19 C21 O1 0.8(10) . . . . ?
N1 C19 C21 C23 178.1(6) . . . . ?
C1 B2 B3 B4 31.5(5) . . . . ?
C1 B2 B3 B7 133.1(6) . . . . ?
C1 B2 B3 B8 95.7(6) . . . . ?
C1 B2 B6 B5 -32.9(5) . . . . ?
C1 B2 B6 B10 -95.3(6) . . . . ?
C1 B2 B6 B11 -131.1(6) . . . . ?
C1 B2 B7 C43 58.7(7) . . . . ?
C1 B2 B7 B3 -39.6(5) . . . . ?
C1 B2 B7 B8 -2.7(8) . . . . ?
C1 B2 B7 B11 96.9(6) . . . . ?
C1 B2 B11 C43 -58.5(7) . . . . ?
C1 B2 B11 B6 41.0(5) . . . . ?
C1 B2 B11 B7 -98.3(6) . . . . ?
C1 B2 B11 B10 3.8(8) . . . . ?
C1 B3 B4 C10 -109.8(7) . . . . ?
C1 B3 B4 B5 33.0(5) . . . . ?
C1 B3 B4 B8 132.6(6) . . . . ?
C1 B3 B4 B9 93.8(6) . . . . ?
C1 B3 B7 C43 -58.4(7) . . . . ?
C1 B3 B7 B2 39.4(5) . . . . ?
C1 B3 B7 B8 -99.0(6) . . . . ?
C1 B3 B7 B11 0.9(7) . . . . ?
C1 B3 B8 C43 57.4(7) . . . . ?
C1 B3 B8 B4 -40.6(5) . . . . ?
C1 B3 B8 B7 97.7(6) . . . . ?
C1 B3 B8 B9 -3.0(7) . . . . ?
C1 B4 B5 Pd1 -93.1(5) . . . . ?
C1 B4 B5 B6 30.0(5) . . . . ?
C1 B4 B5 B9 131.6(6) . . . . ?
C1 B4 B5 B10 93.5(5) . . . . ?
C1 B4 B8 C43 -59.0(6) . . . . ?
C1 B4 B8 B3 39.5(5) . . . . ?
C1 B4 B8 B7 1.9(7) . . . . ?
C1 B4 B8 B9 -97.3(6) . . . . ?
C1 B4 B9 C43 58.4(6) . . . . ?
C1 B4 B9 B5 -41.2(5) . . . . ?
C1 B4 B9 B8 97.2(6) . . . . ?
C1 B4 B9 B10 -2.5(7) . . . . ?
C1 B5 B6 B2 32.2(5) . . . . ?
C1 B5 B6 B10 131.6(6) . . . . ?
C1 B5 B6 B11 95.0(6) . . . . ?
C1 B5 B9 C43 -58.9(6) . . . . ?
C1 B5 B9 B4 40.6(5) . . . . ?
C1 B5 B9 B8 2.5(7) . . . . ?
C1 B5 B9 B10 -97.2(5) . . . . ?
C1 B5 B10 C43 58.7(6) . . . . ?
C1 B5 B10 B6 -40.1(5) . . . . ?
C1 B5 B10 B9 97.8(6) . . . . ?
C1 B5 B10 B11 -2.1(7) . . . . ?
C1 B6 B10 C43 -57.4(6) . . . . ?
C1 B6 B10 B5 41.7(5) . . . . ?
C1 B6 B10 B9 4.8(7) . . . . ?
C1 B6 B10 B11 -96.3(6) . . . . ?
C1 B6 B11 C43 58.9(6) . . . . ?
C1 B6 B11 B2 -40.7(5) . . . . ?
C1 B6 B11 B7 -3.6(7) . . . . ?
C1 B6 B11 B10 98.5(6) . . . . ?
C2 C3 C5 C7 -0.2(12) . . . . ?
C2 C4 C6 C7 1.2(12) . . . . ?
C2 B2 B3 C1 113.1(7) . . . . ?
C2 B2 B3 B4 144.6(6) . . . . ?
C2 B2 B3 B7 -113.8(7) . . . . ?
C2 B2 B3 B8 -151.2(6) . . . . ?
C2 B2 B6 C1 -114.8(7) . . . . ?
C2 B2 B6 B5 -147.7(6) . . . . ?
C2 B2 B6 B10 149.9(6) . . . . ?
C2 B2 B6 B11 114.0(7) . . . . ?
C2 B2 B7 C43 -150.2(7) . . . . ?
C2 B2 B7 B3 111.5(8) . . . . ?
C2 B2 B7 B8 148.4(7) . . . . ?
C2 B2 B7 B11 -112.0(8) . . . . ?
C2 B2 B11 C43 153.7(6) . . . . ?
C2 B2 B11 B6 -106.8(8) . . . . ?
C2 B2 B11 B7 113.9(8) . . . . ?
C2 B2 B11 B10 -144.1(7) . . . . ?
C3 C2 C4 C6 -5.0(11) . . . . ?
C3 C2 B2 C1 -47.6(11) . . . . ?
C3 C2 B2 B3 -119.4(8) . . . . ?
C3 C2 B2 B6 22.2(10) . . . . ?
C3 C2 B2 B7 167.3(7) . . . . ?
C3 C2 B2 B11 93.2(9) . . . . ?
C3 C5 C7 C6 -3.7(11) . . . . ?
C3 C5 C7 C8 171.9(7) . . . . ?
C4 C2 C3 C5 4.5(11) . . . . ?
C4 C2 B2 C1 135.8(7) . . . . ?
C4 C2 B2 B3 64.0(9) . . . . ?
C4 C2 B2 B6 -154.4(6) . . . . ?
C4 C2 B2 B7 -9.3(11) . . . . ?
C4 C2 B2 B11 -83.4(9) . . . . ?
C4 C6 C7 C5 3.3(11) . . . . ?
C4 C6 C7 C8 -172.7(7) . . . . ?
C5 C7 C8 O2 171.9(7) . . . . ?
C5 C7 C8 O3 -11.2(10) . . . . ?
C6 C7 C8 O2 -12.4(11) . . . . ?
C6 C7 C8 O3 164.4(6) . . . . ?
C9 O3 C8 O2 -0.8(11) . . . . ?
C9 O3 C8 C7 -177.7(6) . . . . ?
C10 C11 C14 C16 2.8(11) . . . . ?
C10 C12 C15 C16 3.9(11) . . . . ?
C10 B4 B5 Pd1 20.2(8) . . . . ?
C10 B4 B5 C1 113.3(6) . . . . ?
C10 B4 B5 B6 143.3(6) . . . . ?
C10 B4 B5 B9 -115.2(7) . . . . ?
C10 B4 B5 B10 -153.3(6) . . . . ?
C10 B4 B8 C43 151.0(7) . . . . ?
C10 B4 B8 B3 -110.5(8) . . . . ?
C10 B4 B8 B7 -148.1(7) . . . . ?
C10 B4 B8 B9 112.7(8) . . . . ?
C10 B4 B9 C43 -157.3(6) . . . . ?
C10 B4 B9 B5 103.1(7) . . . . ?
C10 B4 B9 B8 -118.5(8) . . . . ?
C10 B4 B9 B10 141.7(7) . . . . ?
C11 C10 C12 C15 -4.7(11) . . . . ?
C11 C10 B4 C1 124.0(7) . . . . ?
C11 C10 B4 B3 -165.8(6) . . . . ?
C11 C10 B4 B5 54.6(9) . . . . ?
C11 C10 B4 B8 -91.4(9) . . . . ?
C11 C10 B4 B9 -13.5(10) . . . . ?
C11 C14 C16 C15 -3.6(11) . . . . ?
C11 C14 C16 C17 176.5(7) . . . . ?
C12 C10 C11 C14 1.4(11) . . . . ?
C12 C10 B4 C1 -54.8(10) . . . . ?
C12 C10 B4 B3 15.4(10) . . . . ?
C12 C10 B4 B5 -124.2(7) . . . . ?
C12 C10 B4 B8 89.8(9) . . . . ?
C12 C10 B4 B9 167.8(7) . . . . ?
C12 C15 C16 C14 0.4(11) . . . . ?
C12 C15 C16 C17 -179.7(7) . . . . ?
C13 N1 C19 C20 -126.4(7) . . . . ?
C13 N1 C19 C21 51.0(9) . . . . ?
C13 C1 B2 C2 -2.5(10) . . . . ?
C13 C1 B2 B3 108.5(7) . . . . ?
C13 C1 B2 B6 -108.2(7) . . . . ?
C13 C1 B2 B7 148.7(6) . . . . ?
C13 C1 B2 B11 -149.9(6) . . . . ?
C13 C1 B3 B2 -112.4(7) . . . . ?
C13 C1 B3 B4 103.1(6) . . . . ?
C13 C1 B3 B7 -153.1(6) . . . . ?
C13 C1 B3 B8 144.5(6) . . . . ?
C13 C1 B4 C10 1.2(9) . . . . ?
C13 C1 B4 B3 -111.0(6) . . . . ?
C13 C1 B4 B5 106.1(6) . . . . ?
C13 C1 B4 B8 -151.0(6) . . . . ?
C13 C1 B4 B9 146.4(6) . . . . ?
C13 C1 B5 Pd1 5.0(6) . . . . ?
C13 C1 B5 B4 -104.4(6) . . . . ?
C13 C1 B5 B6 110.1(6) . . . . ?
C13 C1 B5 B9 -145.9(6) . . . . ?
C13 C1 B5 B10 151.7(6) . . . . ?
C13 C1 B6 B2 112.5(7) . . . . ?
C13 C1 B6 B5 -104.1(6) . . . . ?
C13 C1 B6 B10 -145.3(6) . . . . ?
C13 C1 B6 B11 154.2(6) . . . . ?
C14 C16 C17 O4 -11.1(12) . . . . ?
C14 C16 C17 O5 165.0(6) . . . . ?
C15 C16 C17 O4 169.0(8) . . . . ?
C15 C16 C17 O5 -14.9(10) . . . . ?
C18 O5 C17 O4 -1.7(11) . . . . ?
C18 O5 C17 C16 -177.8(6) . . . . ?
C19 N1 C13 C1 176.2(5) . . . . ?
C19 C20 C22 C24 1.5(11) . . . . ?
C19 C21 C23 C24 5.6(11) . . . . ?
C20 C19 C21 O1 178.2(6) . . . . ?
C20 C19 C21 C23 -4.5(11) . . . . ?
C20 C22 C24 C23 -0.4(12) . . . . ?
C21 C19 C20 C22 1.0(11) . . . . ?
C21 C23 C24 C22 -3.2(12) . . . . ?
C25 P1 C31 C32 -127.4(6) . . . . ?
C25 P1 C31 C36 58.3(6) . . . . ?
C25 P1 C37 C38 -165.8(5) . . . . ?
C25 P1 C37 C42 14.9(7) . . . . ?
C25 C26 C27 C28 1.0(13) . . . . ?
C26 C25 C30 C29 0.2(11) . . . . ?
C26 C27 C28 C29 -0.1(15) . . . . ?
C27 C28 C29 C30 -0.7(15) . . . . ?
C28 C29 C30 C25 0.6(13) . . . . ?
C30 C25 C26 C27 -1.0(12) . . . . ?
C31 P1 C25 C26 0.5(8) . . . . ?
C31 P1 C25 C30 178.5(5) . . . . ?
C31 P1 C37 C38 -53.0(6) . . . . ?
C31 P1 C37 C42 127.8(6) . . . . ?
C31 C32 C33 C34 0.0(12) . . . . ?
C32 C31 C36 C35 0.3(11) . . . . ?
C32 C33 C34 C35 -2.7(12) . . . . ?
C33 C34 C35 C36 4.1(12) . . . . ?
C34 C35 C36 C31 -2.9(11) . . . . ?
C36 C31 C32 C33 1.2(11) . . . . ?
C37 P1 C25 C26 106.3(7) . . . . ?
C37 P1 C25 C30 -75.6(6) . . . . ?
C37 P1 C31 C32 124.7(6) . . . . ?
C37 P1 C31 C36 -49.6(6) . . . . ?
C37 C38 C39 C40 1.1(11) . . . . ?
C38 C37 C42 C41 -1.9(11) . . . . ?
C38 C39 C40 C41 -2.1(12) . . . . ?
C39 C40 C41 C42 1.0(12) . . . . ?
C40 C41 C42 C37 1.0(12) . . . . ?
C42 C37 C38 C39 0.9(10) . . . . ?
C43 B7 B8 B3 -132.5(6) . . . . ?
C43 B7 B8 B4 -94.6(6) . . . . ?
C43 B7 B8 B9 -32.7(5) . . . . ?
C43 B7 B11 B2 134.3(6) . . . . ?
C43 B7 B11 B6 97.2(6) . . . . ?
C43 B7 B11 B10 32.2(5) . . . . ?
C43 B8 B9 B4 -134.8(6) . . . . ?
C43 B8 B9 B5 -95.9(6) . . . . ?
C43 B8 B9 B10 -31.2(5) . . . . ?
C43 B9 B10 B5 -135.1(6) . . . . ?
C43 B9 B10 B6 -97.2(6) . . . . ?
C43 B9 B10 B11 -33.5(5) . . . . ?
C43 B10 B11 B2 -97.1(6) . . . . ?
C43 B10 B11 B6 -134.3(6) . . . . ?
C43 B10 B11 B7 -32.3(5) . . . . ?
B2 C1 C13 N1 146.0(6) . . . . ?
B2 C1 B3 B4 -144.5(6) . . . . ?
B2 C1 B3 B7 -40.7(5) . . . . ?
B2 C1 B3 B8 -103.1(6) . . . . ?
B2 C1 B4 C10 148.3(7) . . . . ?
B2 C1 B4 B3 36.0(6) . . . . ?
B2 C1 B4 B5 -106.9(6) . . . . ?
B2 C1 B4 B8 -4.0(8) . . . . ?
B2 C1 B4 B9 -66.6(7) . . . . ?
B2 C1 B5 Pd1 -141.8(5) . . . . ?
B2 C1 B5 B4 108.9(6) . . . . ?
B2 C1 B5 B6 -36.6(6) . . . . ?
B2 C1 B5 B9 67.3(6) . . . . ?
B2 C1 B5 B10 4.9(7) . . . . ?
B2 C1 B6 B5 143.4(6) . . . . ?
B2 C1 B6 B10 102.2(6) . . . . ?
B2 C1 B6 B11 41.7(5) . . . . ?
B2 C2 C3 C5 -172.2(7) . . . . ?
B2 C2 C4 C6 171.8(7) . . . . ?
B2 B3 B4 C1 -31.1(5) . . . . ?
B2 B3 B4 C10 -140.9(6) . . . . ?
B2 B3 B4 B5 1.9(7) . . . . ?
B2 B3 B4 B8 101.5(6) . . . . ?
B2 B3 B4 B9 62.7(7) . . . . ?
B2 B3 B7 C43 -97.9(6) . . . . ?
B2 B3 B7 B8 -138.4(6) . . . . ?
B2 B3 B7 B11 -38.5(5) . . . . ?
B2 B3 B8 C43 -2.9(7) . . . . ?
B2 B3 B8 B4 -100.9(6) . . . . ?
B2 B3 B8 B7 37.4(5) . . . . ?
B2 B3 B8 B9 -63.3(7) . . . . ?
B2 B6 B10 C43 2.7(7) . . . . ?
B2 B6 B10 B5 101.7(6) . . . . ?
B2 B6 B10 B9 64.9(7) . . . . ?
B2 B6 B10 B11 -36.2(5) . . . . ?
B2 B6 B11 C43 99.6(6) . . . . ?
B2 B6 B11 B7 37.1(6) . . . . ?
B2 B6 B11 B10 139.2(6) . . . . ?
B2 B7 B8 C43 95.1(6) . . . . ?
B2 B7 B8 B3 -37.4(6) . . . . ?
B2 B7 B8 B4 0.5(8) . . . . ?
B2 B7 B8 B9 62.4(7) . . . . ?
B2 B7 B11 C43 -134.3(6) . . . . ?
B2 B7 B11 B6 -37.1(5) . . . . ?
B2 B7 B11 B10 -102.1(6) . . . . ?
B3 C1 C13 N1 -139.2(6) . . . . ?
B3 C1 B2 C2 -111.0(8) . . . . ?
B3 C1 B2 B6 143.3(6) . . . . ?
B3 C1 B2 B7 40.2(5) . . . . ?
B3 C1 B2 B11 101.6(6) . . . . ?
B3 C1 B4 C10 112.3(7) . . . . ?
B3 C1 B4 B5 -142.9(6) . . . . ?
B3 C1 B4 B8 -40.0(5) . . . . ?
B3 C1 B4 B9 -102.6(6) . . . . ?
B3 C1 B5 Pd1 146.1(5) . . . . ?
B3 C1 B5 B4 36.7(5) . . . . ?
B3 C1 B5 B6 -108.7(6) . . . . ?
B3 C1 B5 B9 -4.8(7) . . . . ?
B3 C1 B5 B10 -67.2(6) . . . . ?
B3 C1 B6 B2 -37.1(6) . . . . ?
B3 C1 B6 B5 106.3(6) . . . . ?
B3 C1 B6 B10 65.1(7) . . . . ?
B3 C1 B6 B11 4.6(8) . . . . ?
B3 B2 B6 C1 32.2(5) . . . . ?
B3 B2 B6 B5 -0.7(7) . . . . ?
B3 B2 B6 B10 -63.1(7) . . . . ?
B3 B2 B6 B11 -98.9(6) . . . . ?
B3 B2 B7 C43 98.4(6) . . . . ?
B3 B2 B7 B8 37.0(6) . . . . ?
B3 B2 B7 B11 136.5(6) . . . . ?
B3 B2 B11 C43 1.7(7) . . . . ?
B3 B2 B11 B6 101.2(6) . . . . ?
B3 B2 B11 B7 -38.1(5) . . . . ?
B3 B2 B11 B10 64.0(7) . . . . ?
B3 B4 B5 Pd1 -125.4(5) . . . . ?
B3 B4 B5 C1 -32.3(5) . . . . ?
B3 B4 B5 B6 -2.3(7) . . . . ?
B3 B4 B5 B9 99.2(6) . . . . ?
B3 B4 B5 B10 61.2(7) . . . . ?
B3 B4 B8 C43 -98.5(6) . . . . ?
B3 B4 B8 B7 -37.6(5) . . . . ?
B3 B4 B8 B9 -136.8(6) . . . . ?
B3 B4 B9 C43 -1.1(7) . . . . ?
B3 B4 B9 B5 -100.7(6) . . . . ?
B3 B4 B9 B8 37.7(5) . . . . ?
B3 B4 B9 B10 -62.1(7) . . . . ?
B3 B7 B8 C43 132.5(6) . . . . ?
B3 B7 B8 B4 37.9(5) . . . . ?
B3 B7 B8 B9 99.8(6) . . . . ?
B3 B7 B11 C43 -95.5(6) . . . . ?
B3 B7 B11 B2 38.9(5) . . . . ?
B3 B7 B11 B6 1.7(8) . . . . ?
B3 B7 B11 B10 -63.3(7) . . . . ?
B3 B8 B9 C43 96.1(6) . . . . ?
B3 B8 B9 B4 -38.6(5) . . . . ?
B3 B8 B9 B5 0.3(7) . . . . ?
B3 B8 B9 B10 64.9(7) . . . . ?
B4 C1 C13 N1 -68.1(8) . . . . ?
B4 C1 B2 C2 -146.9(7) . . . . ?
B4 C1 B2 B3 -35.9(6) . . . . ?
B4 C1 B2 B6 107.4(7) . . . . ?
B4 C1 B2 B7 4.3(8) . . . . ?
B4 C1 B2 B11 65.7(7) . . . . ?
B4 C1 B3 B2 144.5(6) . . . . ?
B4 C1 B3 B7 103.8(6) . . . . ?
B4 C1 B3 B8 41.4(5) . . . . ?
B4 C1 B5 Pd1 109.4(4) . . . . ?
B4 C1 B5 B6 -145.5(6) . . . . ?
B4 C1 B5 B9 -41.5(5) . . . . ?
B4 C1 B5 B10 -103.9(6) . . . . ?
B4 C1 B6 B2 -109.3(6) . . . . ?
B4 C1 B6 B5 34.1(6) . . . . ?
B4 C1 B6 B10 -7.1(7) . . . . ?
B4 C1 B6 B11 -67.6(7) . . . . ?
B4 C10 C11 C14 -177.5(7) . . . . ?
B4 C10 C12 C15 174.1(6) . . . . ?
B4 B3 B7 C43 2.9(7) . . . . ?
B4 B3 B7 B2 100.7(6) . . . . ?
B4 B3 B7 B8 -37.7(5) . . . . ?
B4 B3 B7 B11 62.2(7) . . . . ?
B4 B3 B8 C43 97.9(6) . . . . ?
B4 B3 B8 B7 138.2(6) . . . . ?
B4 B3 B8 B9 37.5(5) . . . . ?
B4 B5 B6 C1 -30.3(5) . . . . ?
B4 B5 B6 B2 1.9(7) . . . . ?
B4 B5 B6 B10 101.4(6) . . . . ?
B4 B5 B6 B11 64.7(7) . . . . ?
B4 B5 B9 C43 -99.4(6) . . . . ?
B4 B5 B9 B8 -38.1(5) . . . . ?
B4 B5 B9 B10 -137.8(6) . . . . ?
B4 B5 B10 C43 -1.4(7) . . . . ?
B4 B5 B10 B6 -100.2(6) . . . . ?
B4 B5 B10 B9 37.7(5) . . . . ?
B4 B5 B10 B11 -62.2(7) . . . . ?
B4 B8 B9 C43 134.8(6) . . . . ?
B4 B8 B9 B5 38.9(5) . . . . ?
B4 B8 B9 B10 103.6(6) . . . . ?
B4 B9 B10 C43 95.7(6) . . . . ?
B4 B9 B10 B5 -39.4(5) . . . . ?
B4 B9 B10 B6 -1.5(8) . . . . ?
B4 B9 B10 B11 62.3(7) . . . . ?
B5 C1 C13 N1 0.9(8) . . . . ?
B5 C1 B2 C2 141.9(7) . . . . ?
B5 C1 B2 B3 -107.1(6) . . . . ?
B5 C1 B2 B6 36.2(6) . . . . ?
B5 C1 B2 B7 -66.9(7) . . . . ?
B5 C1 B2 B11 -5.5(7) . . . . ?
B5 C1 B3 B2 108.1(6) . . . . ?
B5 C1 B3 B4 -36.4(5) . . . . ?
B5 C1 B3 B7 67.4(7) . . . . ?
B5 C1 B3 B8 5.0(7) . . . . ?
B5 C1 B4 C10 -104.8(7) . . . . ?
B5 C1 B4 B3 142.9(6) . . . . ?
B5 C1 B4 B8 102.9(6) . . . . ?
B5 C1 B4 B9 40.3(5) . . . . ?
B5 C1 B6 B2 -143.4(6) . . . . ?
B5 C1 B6 B10 -41.2(5) . . . . ?
B5 C1 B6 B11 -101.7(6) . . . . ?
B5 B4 B8 C43 2.3(7) . . . . ?
B5 B4 B8 B3 100.8(6) . . . . ?
B5 B4 B8 B7 63.2(7) . . . . ?
B5 B4 B8 B9 -36.0(5) . . . . ?
B5 B4 B9 C43 99.6(6) . . . . ?
B5 B4 B9 B8 138.4(6) . . . . ?
B5 B4 B9 B10 38.6(5) . . . . ?
B5 B6 B10 C43 -99.0(6) . . . . ?
B5 B6 B10 B9 -36.8(5) . . . . ?
B5 B6 B10 B11 -137.9(6) . . . . ?
B5 B6 B11 C43 -2.9(7) . . . . ?
B5 B6 B11 B2 -102.5(6) . . . . ?
B5 B6 B11 B7 -65.4(7) . . . . ?
B5 B6 B11 B10 36.7(5) . . . . ?
B5 B9 B10 C43 135.1(6) . . . . ?
B5 B9 B10 B6 37.9(5) . . . . ?
B5 B9 B10 B11 101.6(6) . . . . ?
B5 B10 B11 C43 96.1(6) . . . . ?
B5 B10 B11 B2 -1.0(8) . . . . ?
B5 B10 B11 B6 -38.2(5) . . . . ?
B5 B10 B11 B7 63.8(7) . . . . ?
B6 C1 C13 N1 71.5(8) . . . . ?
B6 C1 B2 C2 105.7(8) . . . . ?
B6 C1 B2 B3 -143.3(6) . . . . ?
B6 C1 B2 B7 -103.1(6) . . . . ?
B6 C1 B2 B11 -41.7(5) . . . . ?
B6 C1 B3 B2 37.0(6) . . . . ?
B6 C1 B3 B4 -107.4(6) . . . . ?
B6 C1 B3 B7 -3.6(8) . . . . ?
B6 C1 B3 B8 -66.0(7) . . . . ?
B6 C1 B4 C10 -139.0(6) . . . . ?
B6 C1 B4 B3 108.7(6) . . . . ?
B6 C1 B4 B5 -34.2(5) . . . . ?
B6 C1 B4 B8 68.7(7) . . . . ?
B6 C1 B4 B9 6.1(7) . . . . ?
B6 C1 B5 Pd1 -105.2(5) . . . . ?
B6 C1 B5 B4 145.5(6) . . . . ?
B6 C1 B5 B9 103.9(6) . . . . ?
B6 C1 B5 B10 41.5(5) . . . . ?
B6 B2 B3 C1 -32.3(5) . . . . ?
B6 B2 B3 B4 -0.7(7) . . . . ?
B6 B2 B3 B7 100.9(6) . . . . ?
B6 B2 B3 B8 63.4(7) . . . . ?
B6 B2 B7 C43 -1.9(7) . . . . ?
B6 B2 B7 B3 -100.2(6) . . . . ?
B6 B2 B7 B8 -63.3(7) . . . . ?
B6 B2 B7 B11 36.3(5) . . . . ?
B6 B2 B11 C43 -99.5(6) . . . . ?
B6 B2 B11 B7 -139.3(6) . . . . ?
B6 B2 B11 B10 -37.3(6) . . . . ?
B6 B5 B9 C43 0.6(7) . . . . ?
B6 B5 B9 B4 100.0(6) . . . . ?
B6 B5 B9 B8 62.0(7) . . . . ?
B6 B5 B9 B10 -37.8(5) . . . . ?
B6 B5 B10 C43 98.8(6) . . . . ?
B6 B5 B10 B9 137.9(6) . . . . ?
B6 B5 B10 B11 38.0(5) . . . . ?
B6 B10 B11 C43 134.3(6) . . . . ?
B6 B10 B11 B2 37.2(6) . . . . ?
B6 B10 B11 B7 102.0(6) . . . . ?
B7 C43 B8 B3 41.2(5) . . . . ?
B7 C43 B8 B4 104.0(6) . . . . ?
B7 C43 B8 B9 142.6(6) . . . . ?
B7 C43 B9 B4 3.2(7) . . . . ?
B7 C43 B9 B5 68.1(7) . . . . ?
B7 C43 B9 B8 -36.6(6) . . . . ?
B7 C43 B9 B10 107.9(6) . . . . ?
B7 C43 B10 B5 -67.6(7) . . . . ?
B7 C43 B10 B6 -4.3(8) . . . . ?
B7 C43 B10 B9 -106.1(6) . . . . ?
B7 C43 B10 B11 35.7(6) . . . . ?
B7 C43 B11 B2 -40.4(5) . . . . ?
B7 C43 B11 B6 -103.7(6) . . . . ?
B7 C43 B11 B10 -144.2(6) . . . . ?
B7 B2 B3 C1 -133.1(6) . . . . ?
B7 B2 B3 B4 -101.6(6) . . . . ?
B7 B2 B3 B8 -37.4(6) . . . . ?
B7 B2 B6 C1 94.8(6) . . . . ?
B7 B2 B6 B5 61.9(7) . . . . ?
B7 B2 B6 B10 -0.5(7) . . . . ?
B7 B2 B6 B11 -36.3(5) . . . . ?
B7 B2 B11 C43 39.8(5) . . . . ?
B7 B2 B11 B6 139.3(6) . . . . ?
B7 B2 B11 B10 102.0(7) . . . . ?
B7 B3 B4 C1 -94.9(6) . . . . ?
B7 B3 B4 C10 155.2(6) . . . . ?
B7 B3 B4 B5 -61.9(7) . . . . ?
B7 B3 B4 B8 37.7(5) . . . . ?
B7 B3 B4 B9 -1.1(7) . . . . ?
B7 B3 B8 C43 -40.3(5) . . . . ?
B7 B3 B8 B4 -138.2(6) . . . . ?
B7 B3 B8 B9 -100.7(6) . . . . ?
B7 B8 B9 C43 32.9(5) . . . . ?
B7 B8 B9 B4 -101.9(6) . . . . ?
B7 B8 B9 B5 -63.0(7) . . . . ?
B7 B8 B9 B10 1.7(8) . . . . ?
B8 C43 B7 B2 -103.3(6) . . . . ?
B8 C43 B7 B3 -40.8(5) . . . . ?
B8 C43 B7 B11 -142.7(6) . . . . ?
B8 C43 B9 B4 39.8(5) . . . . ?
B8 C43 B9 B5 104.7(6) . . . . ?
B8 C43 B9 B10 144.4(6) . . . . ?
B8 C43 B10 B5 3.1(8) . . . . ?
B8 C43 B10 B6 66.4(7) . . . . ?
B8 C43 B10 B9 -35.4(6) . . . . ?
B8 C43 B10 B11 106.4(7) . . . . ?
B8 C43 B11 B2 -3.9(8) . . . . ?
B8 C43 B11 B6 -67.3(7) . . . . ?
B8 C43 B11 B7 36.5(6) . . . . ?
B8 C43 B11 B10 -107.7(6) . . . . ?
B8 B3 B4 C1 -132.6(6) . . . . ?
B8 B3 B4 C10 117.6(7) . . . . ?
B8 B3 B4 B5 -99.6(6) . . . . ?
B8 B3 B4 B9 -38.8(5) . . . . ?
B8 B3 B7 C43 40.6(5) . . . . ?
B8 B3 B7 B2 138.4(6) . . . . ?
B8 B3 B7 B11 100.0(6) . . . . ?
B8 B4 B5 Pd1 172.8(4) . . . . ?
B8 B4 B5 C1 -94.1(6) . . . . ?
B8 B4 B5 B6 -64.1(7) . . . . ?
B8 B4 B5 B9 37.5(5) . . . . ?
B8 B4 B5 B10 -0.6(7) . . . . ?
B8 B4 B9 C43 -38.8(5) . . . . ?
B8 B4 B9 B5 -138.4(6) . . . . ?
B8 B4 B9 B10 -99.7(6) . . . . ?
B8 B7 B11 C43 -32.9(5) . . . . ?
B8 B7 B11 B2 101.4(6) . . . . ?
B8 B7 B11 B6 64.3(7) . . . . ?
B8 B7 B11 B10 -0.7(8) . . . . ?
B8 B9 B10 C43 31.4(5) . . . . ?
B8 B9 B10 B5 -103.7(6) . . . . ?
B8 B9 B10 B6 -65.8(7) . . . . ?
B8 B9 B10 B11 -2.1(8) . . . . ?
B9 C43 B7 B2 -66.3(7) . . . . ?
B9 C43 B7 B3 -3.8(7) . . . . ?
B9 C43 B7 B8 37.0(6) . . . . ?
B9 C43 B7 B11 -105.7(6) . . . . ?
B9 C43 B8 B3 -101.4(6) . . . . ?
B9 C43 B8 B4 -38.5(5) . . . . ?
B9 C43 B8 B7 -142.6(6) . . . . ?
B9 C43 B10 B5 38.5(5) . . . . ?
B9 C43 B10 B6 101.8(6) . . . . ?
B9 C43 B10 B11 141.8(6) . . . . ?
B9 C43 B11 B2 67.0(7) . . . . ?
B9 C43 B11 B6 3.6(8) . . . . ?
B9 C43 B11 B7 107.3(6) . . . . ?
B9 C43 B11 B10 -36.9(6) . . . . ?
B9 B4 B5 Pd1 135.3(5) . . . . ?
B9 B4 B5 C1 -131.6(6) . . . . ?
B9 B4 B5 B6 -101.5(6) . . . . ?
B9 B4 B5 B10 -38.1(5) . . . . ?
B9 B4 B8 C43 38.3(5) . . . . ?
B9 B4 B8 B3 136.8(6) . . . . ?
B9 B4 B8 B7 99.2(6) . . . . ?
B9 B5 B6 C1 -93.6(6) . . . . ?
B9 B5 B6 B2 -61.4(7) . . . . ?
B9 B5 B6 B10 38.1(5) . . . . ?
B9 B5 B6 B11 1.4(7) . . . . ?
B9 B5 B10 C43 -39.0(5) . . . . ?
B9 B5 B10 B6 -137.9(6) . . . . ?
B9 B5 B10 B11 -99.9(7) . . . . ?
B9 B10 B11 C43 34.0(5) . . . . ?
B9 B10 B11 B2 -63.0(7) . . . . ?
B9 B10 B11 B6 -100.3(6) . . . . ?
B9 B10 B11 B7 1.8(8) . . . . ?
B10 C43 B7 B2 4.0(8) . . . . ?
B10 C43 B7 B3 66.5(7) . . . . ?
B10 C43 B7 B8 107.3(7) . . . . ?
B10 C43 B7 B11 -35.4(6) . . . . ?
B10 C43 B8 B3 -66.3(7) . . . . ?
B10 C43 B8 B4 -3.5(8) . . . . ?
B10 C43 B8 B7 -107.5(7) . . . . ?
B10 C43 B8 B9 35.1(6) . . . . ?
B10 C43 B9 B4 -104.6(6) . . . . ?
B10 C43 B9 B5 -39.7(5) . . . . ?
B10 C43 B9 B8 -144.4(6) . . . . ?
B10 C43 B11 B2 103.9(6) . . . . ?
B10 C43 B11 B6 40.5(5) . . . . ?
B10 C43 B11 B7 144.2(6) . . . . ?
B10 B5 B6 C1 -131.6(6) . . . . ?
B10 B5 B6 B2 -99.5(6) . . . . ?
B10 B5 B6 B11 -36.6(5) . . . . ?
B10 B5 B9 C43 38.4(5) . . . . ?
B10 B5 B9 B4 137.8(6) . . . . ?
B10 B5 B9 B8 99.8(6) . . . . ?
B10 B6 B11 C43 -39.7(5) . . . . ?
B10 B6 B11 B2 -139.2(6) . . . . ?
B10 B6 B11 B7 -102.2(7) . . . . ?
B11 C43 B7 B2 39.4(5) . . . . ?
B11 C43 B7 B3 101.9(6) . . . . ?
B11 C43 B7 B8 142.7(6) . . . . ?
B11 C43 B8 B3 4.3(8) . . . . ?
B11 C43 B8 B4 67.2(7) . . . . ?
B11 C43 B8 B7 -36.9(6) . . . . ?
B11 C43 B8 B9 105.7(6) . . . . ?
B11 C43 B9 B4 -67.6(7) . . . . ?
B11 C43 B9 B5 -2.7(8) . . . . ?
B11 C43 B9 B8 -107.4(7) . . . . ?
B11 C43 B9 B10 37.0(6) . . . . ?
B11 C43 B10 B5 -103.3(6) . . . . ?
B11 C43 B10 B6 -40.0(5) . . . . ?
B11 C43 B10 B9 -141.8(6) . . . . ?
B11 B2 B3 C1 -94.8(6) . . . . ?
B11 B2 B3 B4 -63.3(7) . . . . ?
B11 B2 B3 B7 38.3(5) . . . . ?
B11 B2 B3 B8 0.8(7) . . . . ?
B11 B2 B6 C1 131.1(6) . . . . ?
B11 B2 B6 B5 98.2(6) . . . . ?
B11 B2 B6 B10 35.8(5) . . . . ?
B11 B2 B7 C43 -38.1(5) . . . . ?
B11 B2 B7 B3 -136.5(6) . . . . ?
B11 B2 B7 B8 -99.5(6) . . . . ?
B11 B6 B10 C43 38.9(5) . . . . ?
B11 B6 B10 B5 137.9(6) . . . . ?
B11 B6 B10 B9 101.1(6) . . . . ?
B11 B7 B8 C43 32.2(5) . . . . ?
B11 B7 B8 B3 -100.4(6) . . . . ?
B11 B7 B8 B4 -62.4(7) . . . . ?
B11 B7 B8 B9 -0.6(8) . . . . ?
