#------------------------------------------------------------------------------
#$Date: 2025-10-06 11:08:38 +0200 (Mon 06 de Oct de 2025) $
#$Revision: 302611 $
#$URL: svn://www.crystallography.net/cod/cif/7/71/91/7719107.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_7719107
loop_
_publ_author_name
'Haidar Ahmad, Zainab'
'Cordier, Marie'
'Naoufal, Daoud'
'Darcel, Christophe'
_publ_section_title
;
 Synthesis and characterization of
 closo-decahydrido-decaborate-phosphine mediated by palladium(0)
 complexes.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12135
_journal_page_last               12140
_journal_paper_doi               10.1039/d5dt01302j
_journal_volume                  54
_journal_year                    2025
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C18 H24 B10 P, C16 H36 N'
_chemical_formula_sum            'C34 H60 B10 N P'
_chemical_formula_weight         621.90
_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   mixed
_atom_sites_solution_primary     dual
_audit_update_record
;
2025-06-04 deposited with the CCDC.	2025-07-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.104(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.5958(14)
_cell_length_b                   14.1604(10)
_cell_length_c                   17.7746(15)
_cell_measurement_reflns_used    8838
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.5024
_cell_measurement_theta_min      2.4262
_cell_measurement_wavelength     0.710730
_cell_volume                     3838.1(5)
_computing_cell_refinement       'APEX3 (Bruker, 2015)'
_computing_data_collection       'Bruker APEX3 (Bruker, 2015)'
_computing_data_reduction        'SAINT (Bruker, 2014)'
_computing_molecular_graphics
;
   'SXGRAPH (L. Farrugia, 1999), Mercury (CSD, 2020)'
;
_computing_publication_material
'CRYSCALC (T. Roisnel, local program, ver. 2023)'
_computing_structure_refinement  'SHELXL-2018_3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2018_2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 CMOS-PHOTON70
_diffrn_detector_area_resol_mean 7.39
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'D8 VENTURE Bruker AXS'
_diffrn_measurement_method       'rotation images'
_diffrn_orient_matrix_UB_11      0.0622146
_diffrn_orient_matrix_UB_12      0.0063163
_diffrn_orient_matrix_UB_13      0.0286087
_diffrn_orient_matrix_UB_21      -0.0204249
_diffrn_orient_matrix_UB_22      0.0318015
_diffrn_orient_matrix_UB_23      0.0433268
_diffrn_orient_matrix_UB_31      -0.0040898
_diffrn_orient_matrix_UB_32      -0.0627355
_diffrn_orient_matrix_UB_33      0.0248433
_diffrn_radiation_monochromator  'multilayer monochromator'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'Incoatec microfocus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0726
_diffrn_reflns_av_unetI/netI     0.0557
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            35703
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.682
_diffrn_reflns_theta_min         2.344
_diffrn_source_current           1.00
_diffrn_source_power             50.0
_diffrn_source_voltage           50.00
_exptl_absorpt_coefficient_mu    0.096
_exptl_absorpt_correction_T_max  0.994
_exptl_absorpt_correction_T_min  0.858
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
  [Sheldrick, G.M. (2014). SADABS Bruker AXS Inc., Madison, Wisconsin, USA]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.076
_exptl_crystal_description       plate
_exptl_crystal_F_000             1344
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.400
_exptl_crystal_size_min          0.060
_refine_diff_density_max         0.847
_refine_diff_density_min         -0.346
_refine_diff_density_rms         0.056
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     480
_refine_ls_number_reflns         7272
_refine_ls_number_restraints     106
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0930
_refine_ls_R_factor_gt           0.0667
_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)+(0.0542P)²+3.7778P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1451
_refine_ls_wR_factor_ref         0.1609
_reflns_number_gt                5500
_reflns_number_total             7272
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d5dt01302j2.cif
_cod_data_source_block           ZH103
_cod_depositor_comments
'Adding full bibliography for 7719107--7719112.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7719107
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
P1 P 0.03810(4) 0.68253(4) 0.19192(4) 0.02163(16) Uani 1 1 d . . . . .
C1 C -0.02092(15) 0.59294(17) 0.12929(14) 0.0263(5) Uani 1 1 d . . . . .
C2 C -0.00240(17) 0.49946(18) 0.14689(16) 0.0338(6) Uani 1 1 d . . . . .
H2 H 0.044687 0.483161 0.188049 0.041 Uiso 1 1 calc R U . . .
C3 C -0.05239(19) 0.4293(2) 0.1046(2) 0.0474(8) Uani 1 1 d . . . . .
H3A H -0.040314 0.364827 0.117552 0.057 Uiso 1 1 calc R U . . .
C4 C -0.1191(2) 0.4523(2) 0.0443(2) 0.0550(9) Uani 1 1 d . . . . .
H4A H -0.153961 0.403954 0.015928 0.066 Uiso 1 1 calc R U . . .
C5 C -0.1358(2) 0.5454(2) 0.0248(2) 0.0630(10) Uani 1 1 d . . . . .
H5A H -0.180663 0.561077 -0.018323 0.076 Uiso 1 1 calc R U . . .
C6 C -0.0877(2) 0.6161(2) 0.06744(19) 0.0489(8) Uani 1 1 d . . . . .
H6 H -0.100335 0.680457 0.054471 0.059 Uiso 1 1 calc R U . . .
C7 C -0.03813(15) 0.72048(16) 0.24993(14) 0.0240(5) Uani 1 1 d . . . . .
C8 C -0.03203(16) 0.68046(17) 0.32198(14) 0.0268(5) Uani 1 1 d . . . . .
H8 H 0.012835 0.635794 0.340667 0.032 Uiso 1 1 calc R U . . .
C9 C -0.09102(17) 0.70529(18) 0.36676(16) 0.0321(6) Uani 1 1 d . . . . .
H9 H -0.087080 0.676931 0.415810 0.039 Uiso 1 1 calc R U . . .
C10 C -0.15535(17) 0.77086(19) 0.34059(17) 0.0352(6) Uani 1 1 d . . . . .
H10 H -0.195550 0.788042 0.371667 0.042 Uiso 1 1 calc R U . . .
C11 C -0.16154(17) 0.81175(19) 0.26911(17) 0.0372(7) Uani 1 1 d . . . . .
H11 H -0.205643 0.857522 0.251243 0.045 Uiso 1 1 calc R U . . .
C12 C -0.10370(17) 0.78617(18) 0.22361(16) 0.0327(6) Uani 1 1 d . . . . .
H12 H -0.108756 0.813600 0.174101 0.039 Uiso 1 1 calc R U . . .
C13 C 0.05523(15) 0.78206(17) 0.13298(14) 0.0255(5) Uani 1 1 d . . . . .
C14 C 0.0662(2) 0.87106(19) 0.16473(19) 0.0439(8) Uani 1 1 d . . . . .
H14 H 0.057350 0.881574 0.215339 0.053 Uiso 1 1 calc R U . . .
C15 C 0.0902(2) 0.9453(2) 0.1227(2) 0.0586(10) Uani 1 1 d . . . . .
H15 H 0.097312 1.006832 0.144309 0.070 Uiso 1 1 calc R U . . .
C16 C 0.1036(2) 0.9299(3) 0.0497(2) 0.0548(10) Uani 1 1 d . . . . .
H16 H 0.118016 0.981184 0.020145 0.066 Uiso 1 1 calc R U . . .
C17 C 0.0963(2) 0.8417(3) 0.01999(18) 0.0558(10) Uani 1 1 d . . . . .
H17 H 0.108321 0.830831 -0.029505 0.067 Uiso 1 1 calc R U . . .
C18 C 0.07151(19) 0.7676(2) 0.06074(15) 0.0403(7) Uani 1 1 d . . . . .
H18 H 0.065631 0.706097 0.038877 0.048 Uiso 1 1 calc R U . . .
B1 B 0.14596(18) 0.64397(19) 0.25134(16) 0.0232(6) Uani 1 1 d . . . . .
B2 B 0.24070(18) 0.7003(2) 0.24772(16) 0.0260(6) Uani 1 1 d . . . . .
H2B H 0.240080 0.757471 0.204020 0.031 Uiso 1 1 d R U . . .
B3 B 0.22588(18) 0.5704(2) 0.23572(16) 0.0260(6) Uani 1 1 d . . . . .
H3B H 0.213844 0.524466 0.183247 0.031 Uiso 1 1 d R U . . .
B4 B 0.17916(17) 0.56662(19) 0.32371(16) 0.0236(6) Uani 1 1 d . . . . .
H4B H 0.130315 0.517539 0.340902 0.028 Uiso 1 1 d R U . . .
B5 B 0.19463(18) 0.69620(19) 0.33462(16) 0.0245(6) Uani 1 1 d . . . . .
H5B H 0.157558 0.750562 0.360704 0.029 Uiso 1 1 d R U . . .
B6 B 0.31050(19) 0.7101(2) 0.34129(17) 0.0300(7) Uani 1 1 d . . . . .
H6B H 0.343306 0.778937 0.360422 0.036 Uiso 1 1 d R U . . .
B7 B 0.33314(18) 0.6217(2) 0.27245(17) 0.0288(6) Uani 1 1 d . . . . .
H7B H 0.384124 0.619467 0.236491 0.035 Uiso 1 1 d R U . . .
B8 B 0.29087(18) 0.5288(2) 0.32603(16) 0.0259(6) Uani 1 1 d . . . . .
H8B H 0.308159 0.452051 0.333256 0.031 Uiso 1 1 d R U . . .
B9 B 0.26721(18) 0.6163(2) 0.39509(16) 0.0268(6) Uani 1 1 d . . . . .
H9B H 0.265036 0.609961 0.457471 0.032 Uiso 1 1 d R U . . .
B10 B 0.3656(2) 0.6095(2) 0.36932(18) 0.0334(7) Uani 1 1 d . . . . .
H10B H 0.432722 0.599196 0.405881 0.040 Uiso 1 1 d R U . . .
N1 N 0.58819(13) 0.41500(15) 0.32984(12) 0.0296(5) Uani 1 1 d . . . . .
C19 C 0.49626(16) 0.3977(2) 0.28349(16) 0.0363(6) Uani 1 1 d . . . . .
H19A H 0.456819 0.387193 0.319671 0.044 Uiso 1 1 calc R U . . .
H19B H 0.476012 0.455514 0.253658 0.044 Uiso 1 1 calc R U . . .
C20 C 0.48722(19) 0.3151(2) 0.22848(17) 0.0435(7) Uani 1 1 d . . . . .
H20A H 0.499514 0.255639 0.258048 0.052 Uiso 1 1 calc R U . . .
H20B H 0.530667 0.321278 0.195379 0.052 Uiso 1 1 calc R U . . .
C21 C 0.3955(2) 0.3112(2) 0.17843(19) 0.0514(8) Uani 1 1 d . . . . .
H21A H 0.388365 0.250623 0.149955 0.062 Uiso 1 1 calc R U . . .
H21B H 0.352312 0.312094 0.212107 0.062 Uiso 1 1 calc R U . . .
C22 C 0.3753(2) 0.3904(3) 0.1220(2) 0.0706(11) Uani 1 1 d . . . . .
H22A H 0.371709 0.449740 0.149567 0.106 Uiso 1 1 calc R U . . .
H22B H 0.319056 0.378363 0.086659 0.106 Uiso 1 1 calc R U . . .
H22C H 0.421737 0.395174 0.092631 0.106 Uiso 1 1 calc R U . . .
C23 C 0.6293(8) 0.3253(7) 0.3735(7) 0.027(3) Uani 0.650(14) 1 d D U P A -1
H23A H 0.642090 0.280054 0.334790 0.033 Uiso 0.650(14) 1 calc R U P A -1
H23B H 0.686263 0.343692 0.406320 0.033 Uiso 0.650(14) 1 calc R U P A -1
C24 C 0.5778(5) 0.2732(5) 0.4236(5) 0.0366(19) Uani 0.650(14) 1 d D U P A -1
H24A H 0.520719 0.252186 0.392488 0.044 Uiso 0.650(14) 1 calc R U P A -1
H24B H 0.566500 0.315189 0.464985 0.044 Uiso 0.650(14) 1 calc R U P A -1
C25 C 0.6337(6) 0.1850(4) 0.4595(4) 0.0582(18) Uani 0.650(14) 1 d D U P A -1
H25A H 0.656318 0.151221 0.418925 0.070 Uiso 0.650(14) 1 calc R U P A -1
H25B H 0.684479 0.206297 0.499166 0.070 Uiso 0.650(14) 1 calc R U P A -1
C26 C 0.5774(7) 0.1193(6) 0.4953(5) 0.083(2) Uani 0.650(14) 1 d D U P A -1
H26A H 0.558056 0.151747 0.537525 0.124 Uiso 0.650(14) 1 calc R U P A -1
H26B H 0.611491 0.063177 0.515326 0.124 Uiso 0.650(14) 1 calc R U P A -1
H26C H 0.526107 0.100188 0.456362 0.124 Uiso 0.650(14) 1 calc R U P A -1
C23B C 0.6172(14) 0.3300(14) 0.3715(16) 0.035(6) Uani 0.350(14) 1 d D U P A 2
H23C H 0.675625 0.342207 0.404417 0.042 Uiso 0.350(14) 1 calc R U P A 2
H23D H 0.624717 0.280856 0.333802 0.042 Uiso 0.350(14) 1 calc R U P A 2
C24B C 0.5587(8) 0.2904(7) 0.4217(8) 0.027(3) Uani 0.350(14) 1 d D U P A 2
H24C H 0.497217 0.287670 0.392622 0.032 Uiso 0.350(14) 1 calc R U P A 2
H24D H 0.561097 0.331076 0.467370 0.032 Uiso 0.350(14) 1 calc R U P A 2
C25B C 0.5925(9) 0.1879(6) 0.4475(6) 0.034(3) Uani 0.350(14) 1 d D U P A 2
H25C H 0.589326 0.147595 0.401496 0.041 Uiso 0.350(14) 1 calc R U P A 2
H25D H 0.654512 0.191100 0.475156 0.041 Uiso 0.350(14) 1 calc R U P A 2
C26B C 0.5379(12) 0.1451(11) 0.4991(9) 0.083(2) Uani 0.350(14) 1 d D U P A 2
H26D H 0.512703 0.195432 0.525494 0.124 Uiso 0.350(14) 1 calc R U P A 2
H26E H 0.574869 0.104381 0.537269 0.124 Uiso 0.350(14) 1 calc R U P A 2
H26F H 0.490569 0.107459 0.468189 0.124 Uiso 0.350(14) 1 calc R U P A 2
C27 C 0.58171(18) 0.49465(19) 0.38491(16) 0.0358(6) Uani 1 1 d . . . . .
H27A H 0.552914 0.470169 0.425569 0.043 Uiso 1 1 calc R U . . .
H27B H 0.543074 0.544076 0.356517 0.043 Uiso 1 1 calc R U . . .
C28 C 0.66751(19) 0.54033(19) 0.42332(16) 0.0364(6) Uani 1 1 d . . . . .
H28A H 0.691879 0.575765 0.384582 0.044 Uiso 1 1 calc R U . . .
H28B H 0.710253 0.490854 0.445480 0.044 Uiso 1 1 calc R U . . .
C29 C 0.6536(2) 0.6070(2) 0.48651(17) 0.0438(7) Uani 1 1 d . . . . .
H29A H 0.630753 0.571069 0.525884 0.053 Uiso 1 1 calc R U . . .
H29B H 0.609358 0.655137 0.464502 0.053 Uiso 1 1 calc R U . . .
C30 C 0.7385(2) 0.6558(2) 0.5241(2) 0.0599(10) Uani 1 1 d . . . . .
H30A H 0.782020 0.608250 0.546783 0.090 Uiso 1 1 calc R U . . .
H30B H 0.727617 0.698379 0.564565 0.090 Uiso 1 1 calc R U . . .
H30C H 0.760732 0.692140 0.485367 0.090 Uiso 1 1 calc R U . . .
C31 C 0.6502(4) 0.4372(4) 0.2772(3) 0.0302(16) Uani 0.824(6) 1 d D U P A 1
H31A H 0.653330 0.381236 0.244541 0.036 Uiso 0.824(6) 1 calc R U P A 1
H31B H 0.709468 0.447226 0.309415 0.036 Uiso 0.824(6) 1 calc R U P A 1
C32 C 0.6269(3) 0.5223(3) 0.2253(3) 0.0399(12) Uani 0.824(6) 1 d D U P A 1
H32A H 0.611287 0.576041 0.255428 0.048 Uiso 0.824(6) 1 calc R U P A 1
H32B H 0.575365 0.507425 0.184023 0.048 Uiso 0.824(6) 1 calc R U P A 1
C33 C 0.7040(3) 0.5495(3) 0.1897(3) 0.0565(12) Uani 0.824(6) 1 d D U P A 1
H33A H 0.754741 0.565696 0.231326 0.068 Uiso 0.824(6) 1 calc R U P A 1
H33B H 0.720784 0.494444 0.161611 0.068 Uiso 0.824(6) 1 calc R U P A 1
C34 C 0.6844(3) 0.6314(4) 0.1355(3) 0.0768(15) Uani 0.824(6) 1 d D U P A 1
H34A H 0.638971 0.613236 0.090899 0.115 Uiso 0.824(6) 1 calc R U P A 1
H34B H 0.737737 0.649668 0.118249 0.115 Uiso 0.824(6) 1 calc R U P A 1
H34C H 0.663588 0.684770 0.161856 0.115 Uiso 0.824(6) 1 calc R U P A 1
C31B C 0.6479(18) 0.4542(16) 0.2805(17) 0.036(9) Uani 0.176(6) 1 d D U P A 2
H31C H 0.658434 0.404098 0.244699 0.043 Uiso 0.176(6) 1 calc R U P A 2
H31D H 0.705114 0.469649 0.314384 0.043 Uiso 0.176(6) 1 calc R U P A 2
C32B C 0.6145(11) 0.5413(15) 0.2339(13) 0.048(7) Uani 0.176(6) 1 d D U P A 2
H32C H 0.587279 0.585004 0.265500 0.058 Uiso 0.176(6) 1 calc R U P A 2
H32D H 0.569398 0.522889 0.188331 0.058 Uiso 0.176(6) 1 calc R U P A 2
C33B C 0.6903(13) 0.5905(11) 0.2081(11) 0.058(6) Uani 0.176(6) 1 d D U P A 2
H33C H 0.667414 0.646155 0.176482 0.069 Uiso 0.176(6) 1 calc R U P A 2
H33D H 0.732531 0.613348 0.254005 0.069 Uiso 0.176(6) 1 calc R U P A 2
C34B C 0.7372(14) 0.5275(16) 0.1624(14) 0.0768(15) Uani 0.176(6) 1 d D U P A 2
H34D H 0.776561 0.485246 0.197297 0.115 Uiso 0.176(6) 1 calc R U P A 2
H34E H 0.771430 0.566100 0.133601 0.115 Uiso 0.176(6) 1 calc R U P A 2
H34F H 0.694298 0.489967 0.126383 0.115 Uiso 0.176(6) 1 calc R U P A 2
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'
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 C13 107.95(12) . . ?
C1 P1 C7 104.40(11) . . ?
C13 P1 C7 107.03(11) . . ?
C1 P1 B1 115.12(12) . . ?
C13 P1 B1 109.26(12) . . ?
C7 P1 B1 112.65(12) . . ?
C2 C1 C6 119.7(2) . . ?
C2 C1 P1 118.65(19) . . ?
C6 C1 P1 121.5(2) . . ?
C1 C2 C3 120.0(3) . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 120.3(3) . . ?
C4 C3 H3A 119.9 . . ?
C2 C3 H3A 119.9 . . ?
C3 C4 C5 119.9(3) . . ?
C3 C4 H4A 120.0 . . ?
C5 C4 H4A 120.0 . . ?
C4 C5 C6 120.4(3) . . ?
C4 C5 H5A 119.8 . . ?
C6 C5 H5A 119.8 . . ?
C5 C6 C1 119.7(3) . . ?
C5 C6 H6 120.2 . . ?
C1 C6 H6 120.2 . . ?
C8 C7 C12 119.2(2) . . ?
C8 C7 P1 118.62(18) . . ?
C12 C7 P1 122.13(19) . . ?
C9 C8 C7 120.2(2) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 C8 120.2(2) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C9 C10 C11 120.0(2) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.1(2) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 120.3(2) . . ?
C11 C12 H12 119.9 . . ?
C7 C12 H12 119.9 . . ?
C18 C13 C14 119.2(2) . . ?
C18 C13 P1 120.2(2) . . ?
C14 C13 P1 119.8(2) . . ?
C13 C14 C15 119.8(3) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 120.1(3) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C17 C16 C15 119.9(3) . . ?
C17 C16 H16 120.1 . . ?
C15 C16 H16 120.1 . . ?
C16 C17 C18 120.7(3) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C13 C18 C17 120.3(3) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
B4 B1 B5 66.77(16) . . ?
B4 B1 B3 66.80(16) . . ?
B5 B1 B3 101.7(2) . . ?
B4 B1 B2 101.8(2) . . ?
B5 B1 B2 65.83(17) . . ?
B3 B1 B2 66.75(17) . . ?
B4 B1 P1 135.75(19) . . ?
B5 B1 P1 123.62(18) . . ?
B3 B1 P1 133.91(19) . . ?
B2 B1 P1 121.99(18) . . ?
B1 B2 B6 111.5(2) . . ?
B1 B2 B7 111.1(2) . . ?
B6 B2 B7 61.45(16) . . ?
B1 B2 B5 56.92(15) . . ?
B6 B2 B5 59.36(15) . . ?
B7 B2 B5 102.08(19) . . ?
B1 B2 B3 56.61(15) . . ?
B6 B2 B3 102.66(19) . . ?
B7 B2 B3 59.37(15) . . ?
B5 B2 B3 90.21(17) . . ?
B1 B2 H2B 119.1 . . ?
B6 B2 H2B 120.2 . . ?
B7 B2 H2B 120.4 . . ?
B5 B2 H2B 131.2 . . ?
B3 B2 H2B 130.7 . . ?
B1 B3 B8 110.5(2) . . ?
B1 B3 B7 110.5(2) . . ?
B8 B3 B7 60.56(16) . . ?
B1 B3 B4 56.45(15) . . ?
B8 B3 B4 59.31(15) . . ?
B7 B3 B4 101.72(19) . . ?
B1 B3 B2 56.64(15) . . ?
B8 B3 B2 100.81(19) . . ?
B7 B3 B2 58.67(15) . . ?
B4 B3 B2 89.60(17) . . ?
B1 B3 H3B 119.6 . . ?
B8 B3 H3B 121.0 . . ?
B7 B3 H3B 120.8 . . ?
B4 B3 H3B 131.1 . . ?
B2 B3 H3B 131.6 . . ?
B1 B4 B9 110.5(2) . . ?
B1 B4 B8 110.42(19) . . ?
B9 B4 B8 60.94(15) . . ?
B1 B4 B5 56.62(15) . . ?
B9 B4 B5 58.54(15) . . ?
B8 B4 B5 100.76(18) . . ?
B1 B4 B3 56.75(15) . . ?
B9 B4 B3 101.86(18) . . ?
B8 B4 B3 58.93(15) . . ?
B5 B4 B3 89.68(17) . . ?
B1 B4 H4B 119.6 . . ?
B9 B4 H4B 120.7 . . ?
B8 B4 H4B 121.0 . . ?
B5 B4 H4B 131.8 . . ?
B3 B4 H4B 131.0 . . ?
B1 B5 B9 111.2(2) . . ?
B1 B5 B6 111.6(2) . . ?
B9 B5 B6 61.91(16) . . ?
B1 B5 B2 57.25(15) . . ?
B9 B5 B2 102.45(18) . . ?
B6 B5 B2 59.10(15) . . ?
B1 B5 B4 56.62(15) . . ?
B9 B5 B4 59.33(15) . . ?
B6 B5 B4 102.84(18) . . ?
B2 B5 B4 90.51(17) . . ?
B1 B5 H5B 119.2 . . ?
B9 B5 H5B 120.1 . . ?
B6 B5 H5B 119.8 . . ?
B2 B5 H5B 130.8 . . ?
B4 B5 H5B 131.0 . . ?
B10 B6 B2 112.5(2) . . ?
B10 B6 B5 111.7(2) . . ?
B2 B6 B5 61.54(16) . . ?
B10 B6 B7 57.50(17) . . ?
B2 B6 B7 59.54(16) . . ?
B5 B6 B7 102.28(19) . . ?
B10 B6 B9 57.12(16) . . ?
B2 B6 B9 102.03(19) . . ?
B5 B6 B9 58.88(15) . . ?
B7 B6 B9 89.82(18) . . ?
B10 B6 H6B 118.3 . . ?
B2 B6 H6B 119.9 . . ?
B5 B6 H6B 120.3 . . ?
B7 B6 H6B 131.0 . . ?
B9 B6 H6B 131.5 . . ?
B10 B7 B2 111.3(2) . . ?
B10 B7 B3 112.3(2) . . ?
B2 B7 B3 61.96(16) . . ?
B10 B7 B8 57.42(17) . . ?
B2 B7 B8 102.40(18) . . ?
B3 B7 B8 59.53(15) . . ?
B10 B7 B6 56.76(17) . . ?
B2 B7 B6 59.01(16) . . ?
B3 B7 B6 102.78(18) . . ?
B8 B7 B6 90.17(18) . . ?
B10 B7 H7B 118.6 . . ?
B2 B7 H7B 120.4 . . ?
B3 B7 H7B 119.6 . . ?
B8 B7 H7B 130.9 . . ?
B6 B7 H7B 131.2 . . ?
B10 B8 B3 112.8(2) . . ?
B10 B8 B4 112.1(2) . . ?
B3 B8 B4 61.76(15) . . ?
B10 B8 B7 57.50(17) . . ?
B3 B8 B7 59.92(15) . . ?
B4 B8 B7 103.00(18) . . ?
B10 B8 B9 57.12(16) . . ?
B3 B8 B9 102.69(18) . . ?
B4 B8 B9 59.27(15) . . ?
B7 B8 B9 90.41(18) . . ?
B10 B8 H8B 118.4 . . ?
B3 B8 H8B 119.6 . . ?
B4 B8 H8B 119.7 . . ?
B7 B8 H8B 130.8 . . ?
B9 B8 H8B 131.0 . . ?
B10 B9 B5 111.6(2) . . ?
B10 B9 B4 112.7(2) . . ?
B5 B9 B4 62.13(15) . . ?
B10 B9 B8 57.31(16) . . ?
B5 B9 B8 102.46(19) . . ?
B4 B9 B8 59.79(15) . . ?
B10 B9 B6 56.66(17) . . ?
B5 B9 B6 59.21(15) . . ?
B4 B9 B6 102.91(19) . . ?
B8 B9 B6 89.60(18) . . ?
B10 B9 H9B 118.7 . . ?
B5 B9 H9B 119.9 . . ?
B4 B9 H9B 119.2 . . ?
B8 B9 H9B 131.3 . . ?
B6 B9 H9B 131.4 . . ?
B6 B10 B9 66.22(18) . . ?
B6 B10 B8 100.2(2) . . ?
B9 B10 B8 65.57(17) . . ?
B6 B10 B7 65.73(18) . . ?
B9 B10 B7 100.0(2) . . ?
B8 B10 B7 65.08(18) . . ?
B6 B10 H10B 129.7 . . ?
B9 B10 H10B 129.8 . . ?
B8 B10 H10B 130.2 . . ?
B7 B10 H10B 130.2 . . ?
C23B N1 C27 110.4(12) . . ?
C23B N1 C31B 116.2(11) . . ?
C27 N1 C31B 103.6(12) . . ?
C27 N1 C31 112.6(3) . . ?
C23B N1 C19 107.7(11) . . ?
C27 N1 C19 106.76(19) . . ?
C31B N1 C19 111.8(12) . . ?
C31 N1 C19 110.6(3) . . ?
C27 N1 C23 111.3(6) . . ?
C31 N1 C23 103.2(4) . . ?
C19 N1 C23 112.5(5) . . ?
C20 C19 N1 115.2(2) . . ?
C20 C19 H19A 108.5 . . ?
N1 C19 H19A 108.5 . . ?
C20 C19 H19B 108.5 . . ?
N1 C19 H19B 108.5 . . ?
H19A C19 H19B 107.5 . . ?
C19 C20 C21 110.8(2) . . ?
C19 C20 H20A 109.5 . . ?
C21 C20 H20A 109.5 . . ?
C19 C20 H20B 109.5 . . ?
C21 C20 H20B 109.5 . . ?
H20A C20 H20B 108.1 . . ?
C22 C21 C20 113.9(3) . . ?
C22 C21 H21A 108.8 . . ?
C20 C21 H21A 108.8 . . ?
C22 C21 H21B 108.8 . . ?
C20 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 . . ?
C24 C23 N1 118.6(7) . . ?
C24 C23 H23A 107.7 . . ?
N1 C23 H23A 107.7 . . ?
C24 C23 H23B 107.7 . . ?
N1 C23 H23B 107.7 . . ?
H23A C23 H23B 107.1 . . ?
C23 C24 C25 107.9(4) . . ?
C23 C24 H24A 110.1 . . ?
C25 C24 H24A 110.1 . . ?
C23 C24 H24B 110.1 . . ?
C25 C24 H24B 110.1 . . ?
H24A C24 H24B 108.4 . . ?
C26 C25 C24 109.7(5) . . ?
C26 C25 H25A 109.7 . . ?
C24 C25 H25A 109.7 . . ?
C26 C25 H25B 109.7 . . ?
C24 C25 H25B 109.7 . . ?
H25A C25 H25B 108.2 . . ?
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 . . ?
N1 C23B C24B 116.9(11) . . ?
N1 C23B H23C 108.1 . . ?
C24B C23B H23C 108.1 . . ?
N1 C23B H23D 108.1 . . ?
C24B C23B H23D 108.1 . . ?
H23C C23B H23D 107.3 . . ?
C23B C24B C25B 107.9(6) . . ?
C23B C24B H24C 110.1 . . ?
C25B C24B H24C 110.1 . . ?
C23B C24B H24D 110.1 . . ?
C25B C24B H24D 110.1 . . ?
H24C C24B H24D 108.4 . . ?
C26B C25B C24B 110.5(6) . . ?
C26B C25B H25C 109.5 . . ?
C24B C25B H25C 109.5 . . ?
C26B C25B H25D 109.5 . . ?
C24B C25B H25D 109.5 . . ?
H25C C25B H25D 108.1 . . ?
C25B C26B H26D 109.5 . . ?
C25B C26B H26E 109.5 . . ?
H26D C26B H26E 109.5 . . ?
C25B C26B H26F 109.5 . . ?
H26D C26B H26F 109.5 . . ?
H26E C26B H26F 109.5 . . ?
N1 C27 C28 116.0(2) . . ?
N1 C27 H27A 108.3 . . ?
C28 C27 H27A 108.3 . . ?
N1 C27 H27B 108.3 . . ?
C28 C27 H27B 108.3 . . ?
H27A C27 H27B 107.4 . . ?
C27 C28 C29 110.4(2) . . ?
C27 C28 H28A 109.6 . . ?
C29 C28 H28A 109.6 . . ?
C27 C28 H28B 109.6 . . ?
C29 C28 H28B 109.6 . . ?
H28A C28 H28B 108.1 . . ?
C28 C29 C30 111.2(3) . . ?
C28 C29 H29A 109.4 . . ?
C30 C29 H29A 109.4 . . ?
C28 C29 H29B 109.4 . . ?
C30 C29 H29B 109.4 . . ?
H29A C29 H29B 108.0 . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
N1 C31 C32 116.1(4) . . ?
N1 C31 H31A 108.3 . . ?
C32 C31 H31A 108.3 . . ?
N1 C31 H31B 108.3 . . ?
C32 C31 H31B 108.3 . . ?
H31A C31 H31B 107.4 . . ?
C31 C32 C33 110.2(3) . . ?
C31 C32 H32A 109.6 . . ?
C33 C32 H32A 109.6 . . ?
C31 C32 H32B 109.6 . . ?
C33 C32 H32B 109.6 . . ?
H32A C32 H32B 108.1 . . ?
C34 C33 C32 113.0(4) . . ?
C34 C33 H33A 109.0 . . ?
C32 C33 H33A 109.0 . . ?
C34 C33 H33B 109.0 . . ?
C32 C33 H33B 109.0 . . ?
H33A C33 H33B 107.8 . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
N1 C31B C32B 115.7(17) . . ?
N1 C31B H31C 108.4 . . ?
C32B C31B H31C 108.4 . . ?
N1 C31B H31D 108.4 . . ?
C32B C31B H31D 108.4 . . ?
H31C C31B H31D 107.4 . . ?
C31B C32B C33B 109.7(6) . . ?
C31B C32B H32C 109.7 . . ?
C33B C32B H32C 109.7 . . ?
C31B C32B H32D 109.7 . . ?
C33B C32B H32D 109.7 . . ?
H32C C32B H32D 108.2 . . ?
C34B C33B C32B 112.9(7) . . ?
C34B C33B H33C 109.0 . . ?
C32B C33B H33C 109.0 . . ?
C34B C33B H33D 109.0 . . ?
C32B C33B H33D 109.0 . . ?
H33C C33B H33D 107.8 . . ?
C33B C34B H34D 109.5 . . ?
C33B C34B H34E 109.5 . . ?
H34D C34B H34E 109.5 . . ?
C33B C34B H34F 109.5 . . ?
H34D C34B H34F 109.5 . . ?
H34E C34B H34F 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 1.807(2) . ?
P1 C13 1.809(2) . ?
P1 C7 1.811(2) . ?
P1 B1 1.870(3) . ?
C1 C2 1.377(4) . ?
C1 C6 1.386(4) . ?
C2 C3 1.384(4) . ?
C2 H2 0.9500 . ?
C3 C4 1.368(4) . ?
C3 H3A 0.9500 . ?
C4 C5 1.374(5) . ?
C4 H4A 0.9500 . ?
C5 C6 1.379(4) . ?
C5 H5A 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.385(3) . ?
C7 C12 1.389(3) . ?
C8 C9 1.382(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.375(4) . ?
C9 H9 0.9500 . ?
C10 C11 1.381(4) . ?
C10 H10 0.9500 . ?
C11 C12 1.380(4) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.375(4) . ?
C13 C14 1.377(4) . ?
C14 C15 1.386(4) . ?
C14 H14 0.9500 . ?
C15 C16 1.374(5) . ?
C15 H15 0.9500 . ?
C16 C17 1.351(5) . ?
C16 H16 0.9500 . ?
C17 C18 1.376(4) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
B1 B4 1.686(4) . ?
B1 B5 1.686(4) . ?
B1 B3 1.692(4) . ?
B1 B2 1.692(4) . ?
B2 B6 1.792(4) . ?
B2 B7 1.802(4) . ?
B2 B5 1.836(4) . ?
B2 B3 1.862(4) . ?
B2 H2B 1.1201 . ?
B3 B8 1.808(4) . ?
B3 B7 1.815(4) . ?
B3 B4 1.860(4) . ?
B3 H3B 1.1199 . ?
B4 B9 1.806(4) . ?
B4 B8 1.815(4) . ?
B4 B5 1.856(4) . ?
B4 H4B 1.1200 . ?
B5 B9 1.790(4) . ?
B5 B6 1.797(4) . ?
B5 H5B 1.1199 . ?
B6 B10 1.685(4) . ?
B6 B7 1.836(4) . ?
B6 B9 1.845(4) . ?
B6 H6B 1.1200 . ?
B7 B10 1.699(4) . ?
B7 B8 1.827(4) . ?
B7 H7B 1.1202 . ?
B8 B10 1.697(4) . ?
B8 B9 1.836(4) . ?
B8 H8B 1.1200 . ?
B9 B10 1.693(4) . ?
B9 H9B 1.1200 . ?
B10 H10B 1.1200 . ?
N1 C23B 1.435(13) . ?
N1 C27 1.511(3) . ?
N1 C31B 1.51(2) . ?
N1 C31 1.512(5) . ?
N1 C19 1.516(3) . ?
N1 C23 1.556(8) . ?
C19 C20 1.512(4) . ?
C19 H19A 0.9900 . ?
C19 H19B 0.9900 . ?
C20 C21 1.519(4) . ?
C20 H20A 0.9900 . ?
C20 H20B 0.9900 . ?
C21 C22 1.495(5) . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 C24 1.511(5) . ?
C23 H23A 0.9900 . ?
C23 H23B 0.9900 . ?
C24 C25 1.580(7) . ?
C24 H24A 0.9900 . ?
C24 H24B 0.9900 . ?
C25 C26 1.508(7) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C23B C24B 1.512(5) . ?
C23B H23C 0.9900 . ?
C23B H23D 0.9900 . ?
C24B C25B 1.578(7) . ?
C24B H24C 0.9900 . ?
C24B H24D 0.9900 . ?
C25B C26B 1.504(7) . ?
C25B H25C 0.9900 . ?
C25B H25D 0.9900 . ?
C26B H26D 0.9800 . ?
C26B H26E 0.9800 . ?
C26B H26F 0.9800 . ?
C27 C28 1.514(4) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 C29 1.517(4) . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.519(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 C32 1.516(5) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.522(5) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.497(6) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C31B C32B 1.516(6) . ?
C31B H31C 0.9900 . ?
C31B H31D 0.9900 . ?
C32B C33B 1.523(6) . ?
C32B H32C 0.9900 . ?
C32B H32D 0.9900 . ?
C33B C34B 1.496(7) . ?
C33B H33C 0.9900 . ?
C33B H33D 0.9900 . ?
C34B H34D 0.9800 . ?
C34B H34E 0.9800 . ?
C34B H34F 0.9800 . ?
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
C13 P1 C1 C2 144.9(2) . . . . ?
C7 P1 C1 C2 -101.4(2) . . . . ?
B1 P1 C1 C2 22.6(3) . . . . ?
C13 P1 C1 C6 -39.3(3) . . . . ?
C7 P1 C1 C6 74.4(3) . . . . ?
B1 P1 C1 C6 -161.6(2) . . . . ?
C6 C1 C2 C3 -2.3(4) . . . . ?
P1 C1 C2 C3 173.5(2) . . . . ?
C1 C2 C3 C4 1.3(5) . . . . ?
C2 C3 C4 C5 1.0(5) . . . . ?
C3 C4 C5 C6 -2.4(6) . . . . ?
C4 C5 C6 C1 1.5(6) . . . . ?
C2 C1 C6 C5 0.9(5) . . . . ?
P1 C1 C6 C5 -174.8(3) . . . . ?
C1 P1 C7 C8 96.1(2) . . . . ?
C13 P1 C7 C8 -149.60(19) . . . . ?
B1 P1 C7 C8 -29.5(2) . . . . ?
C1 P1 C7 C12 -82.0(2) . . . . ?
C13 P1 C7 C12 32.3(2) . . . . ?
B1 P1 C7 C12 152.4(2) . . . . ?
C12 C7 C8 C9 0.5(4) . . . . ?
P1 C7 C8 C9 -177.76(19) . . . . ?
C7 C8 C9 C10 -0.9(4) . . . . ?
C8 C9 C10 C11 0.4(4) . . . . ?
C9 C10 C11 C12 0.6(4) . . . . ?
C10 C11 C12 C7 -1.1(4) . . . . ?
C8 C7 C12 C11 0.6(4) . . . . ?
P1 C7 C12 C11 178.7(2) . . . . ?
C1 P1 C13 C18 -36.0(2) . . . . ?
C7 P1 C13 C18 -147.9(2) . . . . ?
B1 P1 C13 C18 89.8(2) . . . . ?
C1 P1 C13 C14 154.5(2) . . . . ?
C7 P1 C13 C14 42.6(2) . . . . ?
B1 P1 C13 C14 -79.6(2) . . . . ?
C18 C13 C14 C15 2.4(4) . . . . ?
P1 C13 C14 C15 171.9(2) . . . . ?
C13 C14 C15 C16 -0.5(5) . . . . ?
C14 C15 C16 C17 -2.2(5) . . . . ?
C15 C16 C17 C18 3.0(5) . . . . ?
C14 C13 C18 C17 -1.7(4) . . . . ?
P1 C13 C18 C17 -171.2(2) . . . . ?
C16 C17 C18 C13 -1.1(5) . . . . ?
C1 P1 B1 B4 -66.2(3) . . . . ?
C13 P1 B1 B4 172.2(2) . . . . ?
C7 P1 B1 B4 53.4(3) . . . . ?
C1 P1 B1 B5 -156.41(19) . . . . ?
C13 P1 B1 B5 82.0(2) . . . . ?
C7 P1 B1 B5 -36.9(2) . . . . ?
C1 P1 B1 B3 35.6(3) . . . . ?
C13 P1 B1 B3 -86.0(3) . . . . ?
C7 P1 B1 B3 155.2(2) . . . . ?
C1 P1 B1 B2 123.0(2) . . . . ?
C13 P1 B1 B2 1.4(2) . . . . ?
C7 P1 B1 B2 -117.4(2) . . . . ?
B4 B1 B2 B6 -33.2(3) . . . . ?
B5 B1 B2 B6 24.5(2) . . . . ?
B3 B1 B2 B6 -91.3(2) . . . . ?
P1 B1 B2 B6 140.3(2) . . . . ?
B4 B1 B2 B7 33.3(3) . . . . ?
B5 B1 B2 B7 91.0(2) . . . . ?
B3 B1 B2 B7 -24.8(2) . . . . ?
P1 B1 B2 B7 -153.23(19) . . . . ?
B4 B1 B2 B5 -57.62(18) . . . . ?
B3 B1 B2 B5 -115.76(19) . . . . ?
P1 B1 B2 B5 115.8(2) . . . . ?
B4 B1 B2 B3 58.14(18) . . . . ?
B5 B1 B2 B3 115.76(19) . . . . ?
P1 B1 B2 B3 -128.4(2) . . . . ?
B4 B1 B3 B8 -25.61(19) . . . . ?
B5 B1 B3 B8 32.6(2) . . . . ?
B2 B1 B3 B8 89.6(2) . . . . ?
P1 B1 B3 B8 -157.6(2) . . . . ?
B4 B1 B3 B7 -90.7(2) . . . . ?
B5 B1 B3 B7 -32.5(2) . . . . ?
B2 B1 B3 B7 24.5(2) . . . . ?
P1 B1 B3 B7 137.3(2) . . . . ?
B5 B1 B3 B4 58.19(17) . . . . ?
B2 B1 B3 B4 115.24(19) . . . . ?
P1 B1 B3 B4 -132.0(3) . . . . ?
B4 B1 B3 B2 -115.24(19) . . . . ?
B5 B1 B3 B2 -57.04(18) . . . . ?
P1 B1 B3 B2 112.8(3) . . . . ?
B6 B2 B3 B1 107.6(2) . . . . ?
B7 B2 B3 B1 152.9(2) . . . . ?
B5 B2 B3 B1 48.99(16) . . . . ?
B1 B2 B3 B8 -107.5(2) . . . . ?
B6 B2 B3 B8 0.0(2) . . . . ?
B7 B2 B3 B8 45.41(17) . . . . ?
B5 B2 B3 B8 -58.54(19) . . . . ?
B1 B2 B3 B7 -152.9(2) . . . . ?
B6 B2 B3 B7 -45.38(18) . . . . ?
B5 B2 B3 B7 -103.95(19) . . . . ?
B1 B2 B3 B4 -48.93(16) . . . . ?
B6 B2 B3 B4 58.62(19) . . . . ?
B7 B2 B3 B4 104.01(18) . . . . ?
B5 B2 B3 B4 0.06(17) . . . . ?
B5 B1 B4 B9 -24.08(19) . . . . ?
B3 B1 B4 B9 91.0(2) . . . . ?
B2 B1 B4 B9 32.9(2) . . . . ?
P1 B1 B4 B9 -139.1(2) . . . . ?
B5 B1 B4 B8 -89.6(2) . . . . ?
B3 B1 B4 B8 25.5(2) . . . . ?
B2 B1 B4 B8 -32.6(2) . . . . ?
P1 B1 B4 B8 155.4(2) . . . . ?
B3 B1 B4 B5 115.09(19) . . . . ?
B2 B1 B4 B5 56.98(18) . . . . ?
P1 B1 B4 B5 -115.0(3) . . . . ?
B5 B1 B4 B3 -115.09(19) . . . . ?
B2 B1 B4 B3 -58.11(18) . . . . ?
P1 B1 B4 B3 129.9(3) . . . . ?
B8 B3 B4 B1 151.9(2) . . . . ?
B7 B3 B4 B1 106.9(2) . . . . ?
B2 B3 B4 B1 49.07(17) . . . . ?
B1 B3 B4 B9 -106.8(2) . . . . ?
B8 B3 B4 B9 45.09(17) . . . . ?
B7 B3 B4 B9 0.1(2) . . . . ?
B2 B3 B4 B9 -57.75(19) . . . . ?
B1 B3 B4 B8 -151.9(2) . . . . ?
B7 B3 B4 B8 -45.02(17) . . . . ?
B2 B3 B4 B8 -102.84(18) . . . . ?
B1 B3 B4 B5 -49.13(16) . . . . ?
B8 B3 B4 B5 102.78(18) . . . . ?
B7 B3 B4 B5 57.77(19) . . . . ?
B2 B3 B4 B5 -0.06(17) . . . . ?
B4 B1 B5 B9 24.43(19) . . . . ?
B3 B1 B5 B9 -33.8(2) . . . . ?
B2 B1 B5 B9 -91.5(2) . . . . ?
P1 B1 B5 B9 155.02(18) . . . . ?
B4 B1 B5 B6 91.5(2) . . . . ?
B3 B1 B5 B6 33.3(2) . . . . ?
B2 B1 B5 B6 -24.4(2) . . . . ?
P1 B1 B5 B6 -137.9(2) . . . . ?
B4 B1 B5 B2 115.89(19) . . . . ?
B3 B1 B5 B2 57.67(18) . . . . ?
P1 B1 B5 B2 -113.5(2) . . . . ?
B3 B1 B5 B4 -58.22(17) . . . . ?
B2 B1 B5 B4 -115.89(19) . . . . ?
P1 B1 B5 B4 130.6(2) . . . . ?
B6 B2 B5 B1 -153.4(2) . . . . ?
B7 B2 B5 B1 -107.4(2) . . . . ?
B3 B2 B5 B1 -48.76(16) . . . . ?
B1 B2 B5 B9 107.3(2) . . . . ?
B6 B2 B5 B9 -46.05(18) . . . . ?
B7 B2 B5 B9 -0.1(2) . . . . ?
B3 B2 B5 B9 58.6(2) . . . . ?
B1 B2 B5 B6 153.4(2) . . . . ?
B7 B2 B5 B6 45.98(18) . . . . ?
B3 B2 B5 B6 104.63(19) . . . . ?
B1 B2 B5 B4 48.70(16) . . . . ?
B6 B2 B5 B4 -104.69(19) . . . . ?
B7 B2 B5 B4 -58.71(19) . . . . ?
B3 B2 B5 B4 -0.06(17) . . . . ?
B9 B4 B5 B1 153.4(2) . . . . ?
B8 B4 B5 B1 107.5(2) . . . . ?
B3 B4 B5 B1 49.23(16) . . . . ?
B1 B4 B5 B9 -153.4(2) . . . . ?
B8 B4 B5 B9 -45.90(17) . . . . ?
B3 B4 B5 B9 -104.14(18) . . . . ?
B1 B4 B5 B6 -107.5(2) . . . . ?
B9 B4 B5 B6 45.85(18) . . . . ?
B8 B4 B5 B6 -0.1(2) . . . . ?
B3 B4 B5 B6 -58.29(19) . . . . ?
B1 B4 B5 B2 -49.17(16) . . . . ?
B9 B4 B5 B2 104.20(18) . . . . ?
B8 B4 B5 B2 58.30(19) . . . . ?
B3 B4 B5 B2 0.06(17) . . . . ?
B1 B2 B6 B10 79.6(3) . . . . ?
B7 B2 B6 B10 -23.4(2) . . . . ?
B5 B2 B6 B10 103.4(2) . . . . ?
B3 B2 B6 B10 20.8(3) . . . . ?
B1 B2 B6 B5 -23.79(19) . . . . ?
B7 B2 B6 B5 -126.82(19) . . . . ?
B3 B2 B6 B5 -82.61(18) . . . . ?
B1 B2 B6 B7 103.0(2) . . . . ?
B5 B2 B6 B7 126.82(19) . . . . ?
B3 B2 B6 B7 44.21(17) . . . . ?
B1 B2 B6 B9 20.4(3) . . . . ?
B7 B2 B6 B9 -82.59(19) . . . . ?
B5 B2 B6 B9 44.22(17) . . . . ?
B3 B2 B6 B9 -38.4(2) . . . . ?
B1 B5 B6 B10 -80.7(3) . . . . ?
B9 B5 B6 B10 22.6(2) . . . . ?
B2 B5 B6 B10 -104.6(2) . . . . ?
B4 B5 B6 B10 -21.8(3) . . . . ?
B1 B5 B6 B2 23.89(19) . . . . ?
B9 B5 B6 B2 127.2(2) . . . . ?
B4 B5 B6 B2 82.78(19) . . . . ?
B1 B5 B6 B7 -21.0(3) . . . . ?
B9 B5 B6 B7 82.2(2) . . . . ?
B2 B5 B6 B7 -44.93(17) . . . . ?
B4 B5 B6 B7 37.8(2) . . . . ?
B1 B5 B6 B9 -103.3(2) . . . . ?
B2 B5 B6 B9 -127.2(2) . . . . ?
B4 B5 B6 B9 -44.39(17) . . . . ?
B1 B2 B7 B10 -80.7(3) . . . . ?
B6 B2 B7 B10 23.0(2) . . . . ?
B5 B2 B7 B10 -21.8(3) . . . . ?
B3 B2 B7 B10 -104.7(2) . . . . ?
B1 B2 B7 B3 24.02(19) . . . . ?
B6 B2 B7 B3 127.75(19) . . . . ?
B5 B2 B7 B3 82.97(18) . . . . ?
B1 B2 B7 B8 -21.1(3) . . . . ?
B6 B2 B7 B8 82.61(19) . . . . ?
B5 B2 B7 B8 37.8(2) . . . . ?
B3 B2 B7 B8 -45.14(17) . . . . ?
B1 B2 B7 B6 -103.7(2) . . . . ?
B5 B2 B7 B6 -44.78(17) . . . . ?
B3 B2 B7 B6 -127.75(19) . . . . ?
B1 B3 B7 B10 79.1(3) . . . . ?
B8 B3 B7 B10 -23.5(2) . . . . ?
B4 B3 B7 B10 20.8(3) . . . . ?
B2 B3 B7 B10 103.1(2) . . . . ?
B1 B3 B7 B2 -23.93(19) . . . . ?
B8 B3 B7 B2 -126.56(19) . . . . ?
B4 B3 B7 B2 -82.26(18) . . . . ?
B1 B3 B7 B8 102.6(2) . . . . ?
B4 B3 B7 B8 44.30(17) . . . . ?
B2 B3 B7 B8 126.56(19) . . . . ?
B1 B3 B7 B6 20.1(3) . . . . ?
B8 B3 B7 B6 -82.53(19) . . . . ?
B4 B3 B7 B6 -38.2(2) . . . . ?
B2 B3 B7 B6 44.03(17) . . . . ?
B2 B6 B7 B10 -154.2(2) . . . . ?
B5 B6 B7 B10 -108.1(2) . . . . ?
B9 B6 B7 B10 -50.08(17) . . . . ?
B10 B6 B7 B2 154.2(2) . . . . ?
B5 B6 B7 B2 46.08(18) . . . . ?
B9 B6 B7 B2 104.10(18) . . . . ?
B10 B6 B7 B3 108.5(2) . . . . ?
B2 B6 B7 B3 -45.69(18) . . . . ?
B5 B6 B7 B3 0.4(2) . . . . ?
B9 B6 B7 B3 58.4(2) . . . . ?
B10 B6 B7 B8 49.78(18) . . . . ?
B2 B6 B7 B8 -104.40(18) . . . . ?
B5 B6 B7 B8 -58.3(2) . . . . ?
B9 B6 B7 B8 -0.31(18) . . . . ?
B1 B3 B8 B10 -79.0(3) . . . . ?
B7 B3 B8 B10 23.6(2) . . . . ?
B4 B3 B8 B10 -103.7(2) . . . . ?
B2 B3 B8 B10 -20.7(2) . . . . ?
B1 B3 B8 B4 24.77(19) . . . . ?
B7 B3 B8 B4 127.3(2) . . . . ?
B2 B3 B8 B4 83.01(18) . . . . ?
B1 B3 B8 B7 -102.6(2) . . . . ?
B4 B3 B8 B7 -127.3(2) . . . . ?
B2 B3 B8 B7 -44.31(16) . . . . ?
B1 B3 B8 B9 -19.6(2) . . . . ?
B7 B3 B8 B9 82.99(19) . . . . ?
B4 B3 B8 B9 -44.32(17) . . . . ?
B2 B3 B8 B9 38.7(2) . . . . ?
B1 B4 B8 B10 80.0(3) . . . . ?
B9 B4 B8 B10 -22.7(2) . . . . ?
B5 B4 B8 B10 21.8(3) . . . . ?
B3 B4 B8 B10 104.8(2) . . . . ?
B1 B4 B8 B3 -24.84(19) . . . . ?
B9 B4 B8 B3 -127.54(19) . . . . ?
B5 B4 B8 B3 -83.04(18) . . . . ?
B1 B4 B8 B7 20.1(3) . . . . ?
B9 B4 B8 B7 -82.60(19) . . . . ?
B5 B4 B8 B7 -38.1(2) . . . . ?
B3 B4 B8 B7 44.93(18) . . . . ?
B1 B4 B8 B9 102.7(2) . . . . ?
B5 B4 B8 B9 44.49(17) . . . . ?
B3 B4 B8 B9 127.54(19) . . . . ?
B2 B7 B8 B10 -107.5(2) . . . . ?
B3 B7 B8 B10 -154.0(2) . . . . ?
B6 B7 B8 B10 -49.28(17) . . . . ?
B10 B7 B8 B3 154.0(2) . . . . ?
B2 B7 B8 B3 46.54(18) . . . . ?
B6 B7 B8 B3 104.77(19) . . . . ?
B10 B7 B8 B4 108.1(2) . . . . ?
B2 B7 B8 B4 0.6(2) . . . . ?
B3 B7 B8 B4 -45.98(18) . . . . ?
B6 B7 B8 B4 58.8(2) . . . . ?
B10 B7 B8 B9 49.59(17) . . . . ?
B2 B7 B8 B9 -57.9(2) . . . . ?
B3 B7 B8 B9 -104.46(18) . . . . ?
B6 B7 B8 B9 0.31(18) . . . . ?
B1 B5 B9 B10 81.4(3) . . . . ?
B6 B5 B9 B10 -22.4(2) . . . . ?
B2 B5 B9 B10 22.0(3) . . . . ?
B4 B5 B9 B10 105.1(2) . . . . ?
B1 B5 B9 B4 -23.67(18) . . . . ?
B6 B5 B9 B4 -127.54(19) . . . . ?
B2 B5 B9 B4 -83.09(18) . . . . ?
B1 B5 B9 B8 21.9(2) . . . . ?
B6 B5 B9 B8 -81.95(19) . . . . ?
B2 B5 B9 B8 -37.5(2) . . . . ?
B4 B5 B9 B8 45.59(17) . . . . ?
B1 B5 B9 B6 103.9(2) . . . . ?
B2 B5 B9 B6 44.44(17) . . . . ?
B4 B5 B9 B6 127.54(19) . . . . ?
B1 B4 B9 B10 -79.8(3) . . . . ?
B8 B4 B9 B10 22.9(2) . . . . ?
B5 B4 B9 B10 -103.3(2) . . . . ?
B3 B4 B9 B10 -21.1(3) . . . . ?
B1 B4 B9 B5 23.55(18) . . . . ?
B8 B4 B9 B5 126.18(19) . . . . ?
B3 B4 B9 B5 82.23(18) . . . . ?
B1 B4 B9 B8 -102.6(2) . . . . ?
B5 B4 B9 B8 -126.18(19) . . . . ?
B3 B4 B9 B8 -43.95(17) . . . . ?
B1 B4 B9 B6 -20.8(2) . . . . ?
B8 B4 B9 B6 81.85(19) . . . . ?
B5 B4 B9 B6 -44.34(17) . . . . ?
B3 B4 B9 B6 37.9(2) . . . . ?
B3 B8 B9 B10 -109.1(2) . . . . ?
B4 B8 B9 B10 -154.8(2) . . . . ?
B7 B8 B9 B10 -49.88(18) . . . . ?
B10 B8 B9 B5 107.8(2) . . . . ?
B3 B8 B9 B5 -1.2(2) . . . . ?
B4 B8 B9 B5 -46.95(17) . . . . ?
B7 B8 B9 B5 58.0(2) . . . . ?
B10 B8 B9 B4 154.8(2) . . . . ?
B3 B8 B9 B4 45.73(17) . . . . ?
B7 B8 B9 B4 104.92(18) . . . . ?
B10 B8 B9 B6 49.57(18) . . . . ?
B3 B8 B9 B6 -59.49(19) . . . . ?
B4 B8 B9 B6 -105.23(18) . . . . ?
B7 B8 B9 B6 -0.31(18) . . . . ?
B2 B6 B9 B10 109.1(2) . . . . ?
B5 B6 B9 B10 154.9(2) . . . . ?
B7 B6 B9 B10 50.38(18) . . . . ?
B10 B6 B9 B5 -154.9(2) . . . . ?
B2 B6 B9 B5 -45.75(18) . . . . ?
B7 B6 B9 B5 -104.49(19) . . . . ?
B10 B6 B9 B4 -108.9(2) . . . . ?
B2 B6 B9 B4 0.2(2) . . . . ?
B5 B6 B9 B4 45.98(17) . . . . ?
B7 B6 B9 B4 -58.51(19) . . . . ?
B10 B6 B9 B8 -50.07(18) . . . . ?
B2 B6 B9 B8 59.04(19) . . . . ?
B5 B6 B9 B8 104.79(18) . . . . ?
B7 B6 B9 B8 0.30(18) . . . . ?
B2 B6 B10 B9 -90.1(2) . . . . ?
B5 B6 B10 B9 -23.0(2) . . . . ?
B7 B6 B10 B9 -114.0(2) . . . . ?
B2 B6 B10 B8 -32.6(3) . . . . ?
B5 B6 B10 B8 34.4(3) . . . . ?
B7 B6 B10 B8 -56.61(18) . . . . ?
B9 B6 B10 B8 57.44(18) . . . . ?
B2 B6 B10 B7 24.0(2) . . . . ?
B5 B6 B10 B7 91.0(2) . . . . ?
B9 B6 B10 B7 114.0(2) . . . . ?
B5 B9 B10 B6 23.1(2) . . . . ?
B4 B9 B10 B6 90.8(2) . . . . ?
B8 B9 B10 B6 114.3(2) . . . . ?
B5 B9 B10 B8 -91.2(2) . . . . ?
B4 B9 B10 B8 -23.5(2) . . . . ?
B6 B9 B10 B8 -114.3(2) . . . . ?
B5 B9 B10 B7 -34.6(3) . . . . ?
B4 B9 B10 B7 33.1(3) . . . . ?
B8 B9 B10 B7 56.61(19) . . . . ?
B6 B9 B10 B7 -57.72(19) . . . . ?
B3 B8 B10 B6 32.8(3) . . . . ?
B4 B8 B10 B6 -34.6(3) . . . . ?
B7 B8 B10 B6 57.06(19) . . . . ?
B9 B8 B10 B6 -57.89(18) . . . . ?
B3 B8 B10 B9 90.7(2) . . . . ?
B4 B8 B10 B9 23.3(2) . . . . ?
B7 B8 B10 B9 115.0(2) . . . . ?
B3 B8 B10 B7 -24.2(2) . . . . ?
B4 B8 B10 B7 -91.7(2) . . . . ?
B9 B8 B10 B7 -115.0(2) . . . . ?
B2 B7 B10 B6 -23.6(2) . . . . ?
B3 B7 B10 B6 -91.0(2) . . . . ?
B8 B7 B10 B6 -115.02(19) . . . . ?
B2 B7 B10 B9 34.4(3) . . . . ?
B3 B7 B10 B9 -32.9(3) . . . . ?
B8 B7 B10 B9 -56.96(19) . . . . ?
B6 B7 B10 B9 58.07(19) . . . . ?
B2 B7 B10 B8 91.4(2) . . . . ?
B3 B7 B10 B8 24.1(2) . . . . ?
B6 B7 B10 B8 115.02(19) . . . . ?
C23B N1 C19 C20 -57.1(10) . . . . ?
C27 N1 C19 C20 -175.7(2) . . . . ?
C31B N1 C19 C20 71.7(11) . . . . ?
C31 N1 C19 C20 61.5(4) . . . . ?
C23 N1 C19 C20 -53.3(5) . . . . ?
N1 C19 C20 C21 -173.3(2) . . . . ?
C19 C20 C21 C22 68.5(4) . . . . ?
C27 N1 C23 C24 67.9(12) . . . . ?
C31 N1 C23 C24 -171.1(10) . . . . ?
C19 N1 C23 C24 -51.9(12) . . . . ?
N1 C23 C24 C25 179.1(9) . . . . ?
C23 C24 C25 C26 -167.5(8) . . . . ?
C27 N1 C23B C24B 62(2) . . . . ?
C31B N1 C23B C24B 179(2) . . . . ?
C19 N1 C23B C24B -54(2) . . . . ?
N1 C23B C24B C25B 168.4(18) . . . . ?
C23B C24B C25B C26B 178.9(17) . . . . ?
C23B N1 C27 C28 77.7(9) . . . . ?
C31B N1 C27 C28 -47.4(11) . . . . ?
C31 N1 C27 C28 -44.0(4) . . . . ?
C19 N1 C27 C28 -165.5(2) . . . . ?
C23 N1 C27 C28 71.3(5) . . . . ?
N1 C27 C28 C29 -170.4(2) . . . . ?
C27 C28 C29 C30 -178.3(2) . . . . ?
C27 N1 C31 C32 -60.6(5) . . . . ?
C19 N1 C31 C32 58.7(5) . . . . ?
C23 N1 C31 C32 179.3(7) . . . . ?
N1 C31 C32 C33 167.1(4) . . . . ?
C31 C32 C33 C34 178.1(4) . . . . ?
C23B N1 C31B C32B 177(2) . . . . ?
C27 N1 C31B C32B -62(2) . . . . ?
C19 N1 C31B C32B 53(2) . . . . ?
N1 C31B C32B C33B 162.1(19) . . . . ?
C31B C32B C33B C34B 57(3) . . . . ?
