#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:03:49 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263654 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/79/7127942.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_7127942
loop_
_publ_author_name
'Park, Seonghyeon'
'Kim, Dongwon'
'Kim, Doheon'
'Kim, Dongwook'
'Jung, Ok-Sang'
_publ_section_title
;
 A cyclic manipulation of cage isomers via anion exchange and
 thermal isomerism.
;
_journal_issue                   23
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              2919
_journal_page_last               2922
_journal_paper_doi               10.1039/d0cc08303h
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C136 H176 N24 O24 Pd4 Si8'
_chemical_formula_weight         3181.32
_space_group_crystal_system      orthorhombic
_space_group_IT_number           18
_space_group_name_Hall           'P 2 2ab'
_space_group_name_H-M_alt        'P 21 21 2'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   33.763(7)
_cell_length_b                   25.417(5)
_cell_length_c                   25.901(5)
_cell_measurement_reflns_used    272143
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.749
_cell_measurement_theta_min      0.458
_cell_volume                     22227(8)
_computing_cell_refinement       'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_data_collection       'PAL BL2D-SMDC Program (Shin et. al, 2016)'
_computing_data_reduction        'HKL3000sm (Otwinowski & Minor, 1997)'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Rayonix MX225HS CCD area detector'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.800
_diffrn_reflns_av_R_equivalents  0.0629
_diffrn_reflns_av_unetI/netI     0.0569
_diffrn_reflns_Laue_measured_fraction_full 0.995
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -39
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            147585
_diffrn_reflns_point_group_measured_fraction_full 0.995
_diffrn_reflns_point_group_measured_fraction_max 0.995
_diffrn_reflns_theta_full        27.999
_diffrn_reflns_theta_max         27.999
_diffrn_reflns_theta_min         1.263
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.557
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.794
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000sm Scalepack(Otwinowski et.al,2003)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    0.951
_exptl_crystal_description       block
_exptl_crystal_F_000             6592
_exptl_crystal_size_max          0.050
_exptl_crystal_size_mid          0.040
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.970
_refine_diff_density_min         -0.404
_refine_diff_density_rms         0.080
_refine_ls_abs_structure_details
;
 Flack x determined using 5914 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.090(7)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.846
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1851
_refine_ls_number_reflns         37457
_refine_ls_number_restraints     2444
_refine_ls_restrained_S_all      0.882
_refine_ls_R_factor_all          0.1333
_refine_ls_R_factor_gt           0.0732
_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)+(0.1553P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1997
_refine_ls_wR_factor_ref         0.2309
_reflns_Friedel_coverage         0.874
_reflns_Friedel_fraction_full    0.996
_reflns_Friedel_fraction_max     0.996
_reflns_number_gt                16256
_reflns_number_total             37457
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc08303h3.cif
_cod_data_source_block           PdL4NO3_exchange_sq
_cod_depositor_comments
'Adding full bibliography for 7127941--7127948.cif.'
_cod_database_code               7127942
_shelx_shelxl_version_number     2018/3
_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_min   0.973
_shelx_estimated_absorpt_t_max   0.986
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, z'
'-x+1/2, y+1/2, -z'
'x+1/2, -y+1/2, -z'
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
N7 N 0.3575(7) 0.1903(9) 0.5017(9) 0.257(11) Uani 0.635(14) 1 d D U P . .
O8 O 0.3732(9) 0.2073(10) 0.5421(9) 0.273(11) Uani 0.635(14) 1 d D U P . .
O10 O 0.3700(9) 0.1475(8) 0.4849(10) 0.259(10) Uani 0.635(14) 1 d D U P . .
O9 O 0.3441(8) 0.2236(9) 0.4710(9) 0.256(10) Uani 0.635(14) 1 d D U P . .
N10 N 0.3425(7) 0.2961(9) -0.0252(8) 0.235(10) Uani 0.602(13) 1 d D U P . .
O17 O 0.3523(8) 0.2645(8) -0.0592(8) 0.225(9) Uani 0.602(13) 1 d D U P . .
O18 O 0.3564(8) 0.2920(8) 0.0184(7) 0.211(9) Uani 0.602(13) 1 d D U P . .
O19 O 0.3251(9) 0.3374(9) -0.0371(10) 0.266(11) Uani 0.602(13) 1 d D U P . .
N8 N 0.6121(8) 0.3294(12) 0.3543(11) 0.271(13) Uani 0.500(13) 1 d D U P . .
O22 O 0.5801(8) 0.3092(16) 0.3655(15) 0.294(14) Uani 0.500(13) 1 d D U P . .
O21 O 0.6389(8) 0.3292(11) 0.3865(10) 0.230(11) Uani 0.500(13) 1 d D U P . .
O20 O 0.6161(11) 0.3518(14) 0.3120(10) 0.276(13) Uani 0.500(13) 1 d D U P . .
N1 N 0.4945(2) 0.1077(2) 0.1848(2) 0.0654(16) Uani 1 1 d . U . . .
O1 O 0.4979(4) 0.0879(5) 0.1367(4) 0.179(4) Uani 1 1 d . U . . .
O2 O 0.4967(3) 0.1580(5) 0.1853(4) 0.157(3) Uani 1 1 d . U . . .
O3 O 0.4984(4) 0.0875(5) 0.2309(4) 0.188(4) Uani 1 1 d . U . . .
N2 N 0.4132(4) 0.3809(5) 0.2991(5) 0.134(4) Uani 1 1 d D U . . .
O11 O 0.4247(5) 0.3689(6) 0.2546(5) 0.228(6) Uani 1 1 d D U . . .
O12 O 0.4173(5) 0.4277(5) 0.3101(6) 0.242(6) Uani 1 1 d D U . . .
O13 O 0.4272(5) 0.3489(5) 0.3325(5) 0.215(5) Uani 1 1 d D U . . .
N4 N 0.5710(4) 0.3830(5) 1.0574(6) 0.155(4) Uani 1 1 d D U . . .
O14 O 0.6063(4) 0.3704(6) 1.0460(7) 0.251(6) Uani 1 1 d D U . . .
O15 O 0.5581(4) 0.4216(6) 1.0356(6) 0.226(6) Uani 1 1 d D U . . .
O16 O 0.5604(4) 0.3727(6) 1.1021(5) 0.220(5) Uani 1 1 d D U . . .
Pd1 Pd 0.49769(3) 0.35714(4) 0.50328(4) 0.1222(3) Uani 1 1 d . U . . .
Pd2 Pd 0.48600(3) 0.35731(4) 0.84656(4) 0.1127(3) Uani 1 1 d . U . . .
Pd3 Pd 0.49965(3) 0.17576(4) 0.32618(4) 0.1196(3) Uani 1 1 d . U . . .
N3 N 0.500000 0.500000 0.7834(4) 0.075(3) Uani 1 2 d DS TU P . .
Pd4 Pd 0.49202(3) 0.17481(4) 0.04217(4) 0.1184(3) Uani 1 1 d . U . . .
O4 O 0.5007(4) 0.5424(2) 0.5884(4) 0.199(4) Uani 1 1 d D U . . .
Si1A Si 0.38694(10) 0.37184(14) 0.66987(16) 0.1157(10) Uani 1 1 d . U . . .
N2A N 0.4719(3) 0.3227(4) 0.5654(4) 0.122(3) Uani 1 1 d . U . . .
C3A C 0.4460(4) 0.3518(5) 0.5914(5) 0.116(3) Uani 1 1 d . U . . .
H3A H 0.440104 0.386428 0.579959 0.140 Uiso 1 1 calc R U . . .
C4A C 0.4264(4) 0.3304(5) 0.6381(5) 0.117(3) Uani 1 1 d . U . . .
C5A C 0.4325(4) 0.2791(5) 0.6465(6) 0.119(3) Uani 1 1 d . U . . .
H5A H 0.417954 0.262888 0.673599 0.143 Uiso 1 1 calc R U . . .
C6A C 0.4590(4) 0.2474(5) 0.6182(6) 0.125(3) Uani 1 1 d . U . . .
H6A H 0.463480 0.211775 0.627603 0.150 Uiso 1 1 calc R U . . .
C7A C 0.4788(4) 0.2702(5) 0.5749(5) 0.123(3) Uani 1 1 d . U . . .
H7A H 0.496066 0.250135 0.553635 0.147 Uiso 1 1 calc R U . . .
C8A C 0.4003(4) 0.4427(5) 0.6634(6) 0.127(4) Uani 1 1 d . U . . .
H8AA H 0.378324 0.464505 0.675661 0.190 Uiso 1 1 calc R U . . .
H8AB H 0.405776 0.450765 0.627130 0.190 Uiso 1 1 calc R U . . .
H8AC H 0.423994 0.450055 0.684166 0.190 Uiso 1 1 calc R U . . .
N9A N 0.4320(3) 0.3451(4) 0.8158(4) 0.116(3) Uani 1 1 d . U . . .
C10A C 0.4060(4) 0.3195(5) 0.8407(6) 0.122(3) Uani 1 1 d . U . . .
H10A H 0.411150 0.307989 0.874933 0.147 Uiso 1 1 calc R U . . .
C11A C 0.3682(4) 0.3082(5) 0.8162(6) 0.127(3) Uani 1 1 d . U . . .
H11A H 0.348421 0.290593 0.835716 0.153 Uiso 1 1 calc R U . . .
C12A C 0.3597(4) 0.3222(6) 0.7647(6) 0.134(3) Uani 1 1 d . U . . .
H12A H 0.335319 0.313181 0.748743 0.161 Uiso 1 1 calc R U . . .
C13A C 0.3897(4) 0.3504(5) 0.7381(5) 0.121(3) Uani 1 1 d . U . . .
C14A C 0.4251(4) 0.3609(5) 0.7676(6) 0.119(3) Uani 1 1 d . U . . .
H14A H 0.445290 0.380851 0.751136 0.143 Uiso 1 1 calc R U . . .
C15A C 0.3367(4) 0.3539(7) 0.6422(6) 0.145(3) Uani 1 1 d . U . . .
H15A H 0.330055 0.316408 0.650105 0.173 Uiso 1 1 calc R U . . .
C16A C 0.3053(4) 0.3884(7) 0.6587(7) 0.161(4) Uani 1 1 d . U . . .
H16A H 0.311664 0.424816 0.647870 0.193 Uiso 1 1 calc R U . . .
H16B H 0.303863 0.387960 0.696868 0.193 Uiso 1 1 calc R U . . .
C17A C 0.2646(5) 0.3732(8) 0.6367(7) 0.179(5) Uani 1 1 d D U . . .
H17A H 0.256240 0.338783 0.650805 0.215 Uiso 1 1 calc R U . . .
H17B H 0.244601 0.399847 0.646813 0.215 Uiso 1 1 calc R U . . .
C18A C 0.2671(5) 0.3702(9) 0.5795(7) 0.197(5) Uani 1 1 d D U . . .
H18A H 0.271141 0.406185 0.565882 0.237 Uiso 1 1 calc R U . . .
H18B H 0.241336 0.357424 0.566158 0.237 Uiso 1 1 calc R U . . .
C19A C 0.2990(5) 0.3356(8) 0.5589(8) 0.190(5) Uani 1 1 d D U . . .
H19A H 0.298542 0.334584 0.520705 0.229 Uiso 1 1 calc R U . . .
H19B H 0.296559 0.299328 0.572433 0.229 Uiso 1 1 calc R U . . .
C20A C 0.3385(5) 0.3634(8) 0.5797(7) 0.175(4) Uani 1 1 d . U . . .
H20A H 0.338596 0.401452 0.571463 0.210 Uiso 1 1 calc R U . . .
H20B H 0.362455 0.346957 0.564617 0.210 Uiso 1 1 calc R U . . .
Si1B Si 0.59782(10) 0.34147(14) 0.68023(16) 0.1167(10) Uani 1 1 d . U . . .
N2B N 0.5507(3) 0.3372(4) 0.5350(5) 0.122(3) Uani 1 1 d . U . . .
C3B C 0.5770(4) 0.3049(6) 0.5053(6) 0.133(3) Uani 1 1 d . U . . .
H3B H 0.572749 0.301064 0.469210 0.160 Uiso 1 1 calc R U . . .
C4B C 0.6063(5) 0.2812(6) 0.5270(6) 0.137(4) Uani 1 1 d . U . . .
H4B H 0.621600 0.257032 0.507345 0.164 Uiso 1 1 calc R U . . .
C5B C 0.6166(5) 0.2904(5) 0.5812(6) 0.136(3) Uani 1 1 d . U . . .
H5B H 0.639007 0.274128 0.596503 0.164 Uiso 1 1 calc R U . . .
C6B C 0.5899(4) 0.3274(5) 0.6121(6) 0.119(3) Uani 1 1 d . U . . .
C7B C 0.5586(4) 0.3467(5) 0.5842(6) 0.118(3) Uani 1 1 d . U . . .
H7B H 0.540824 0.369333 0.601993 0.142 Uiso 1 1 calc R U . . .
C8B C 0.5988(4) 0.4141(5) 0.6909(6) 0.133(4) Uani 1 1 d . U . . .
H8BA H 0.610718 0.421662 0.724568 0.199 Uiso 1 1 calc R U . . .
H8BB H 0.571655 0.427821 0.690098 0.199 Uiso 1 1 calc R U . . .
H8BC H 0.614426 0.430873 0.663637 0.199 Uiso 1 1 calc R U . . .
N9B N 0.5089(3) 0.3154(4) 0.7863(4) 0.115(2) Uani 1 1 d . U . . .
C10B C 0.4953(5) 0.2659(5) 0.7737(5) 0.127(3) Uani 1 1 d . U . . .
H10B H 0.473566 0.250882 0.791782 0.152 Uiso 1 1 calc R U . . .
C11B C 0.5125(4) 0.2402(5) 0.7370(6) 0.127(3) Uani 1 1 d . U . . .
H11B H 0.504895 0.204747 0.730653 0.153 Uiso 1 1 calc R U . . .
C12B C 0.5406(4) 0.2618(6) 0.7077(6) 0.132(3) Uani 1 1 d . U . . .
H12B H 0.551495 0.241900 0.680124 0.159 Uiso 1 1 calc R U . . .
C13B C 0.5545(4) 0.3130(5) 0.7163(6) 0.119(3) Uani 1 1 d . U . . .
C14B C 0.5368(4) 0.3370(5) 0.7579(5) 0.114(3) Uani 1 1 d . U . . .
H14B H 0.545160 0.371580 0.766670 0.136 Uiso 1 1 calc R U . . .
C15B C 0.6421(4) 0.3098(7) 0.7054(5) 0.142(3) Uani 1 1 d D U . . .
H15B H 0.639697 0.272301 0.694055 0.170 Uiso 1 1 calc R U . . .
C16B C 0.6430(4) 0.3071(7) 0.7646(5) 0.158(4) Uani 1 1 d D U . . .
H16C H 0.642248 0.343486 0.778161 0.190 Uiso 1 1 calc R U . . .
H16D H 0.618464 0.289306 0.776376 0.190 Uiso 1 1 calc R U . . .
C17B C 0.6774(4) 0.2796(8) 0.7884(7) 0.179(4) Uani 1 1 d D U . . .
H17C H 0.676668 0.284620 0.826323 0.214 Uiso 1 1 calc R U . . .
H17D H 0.675359 0.241372 0.781418 0.214 Uiso 1 1 calc R U . . .
C18B C 0.7138(4) 0.2985(8) 0.7691(6) 0.175(4) Uani 1 1 d D U . . .
H18C H 0.735669 0.277317 0.784003 0.210 Uiso 1 1 calc R U . . .
H18D H 0.717510 0.335336 0.780435 0.210 Uiso 1 1 calc R U . . .
C19B C 0.7164(4) 0.2961(7) 0.7100(6) 0.160(4) Uani 1 1 d D U . . .
H19C H 0.715438 0.258934 0.698566 0.192 Uiso 1 1 calc R U . . .
H19D H 0.741926 0.311250 0.698488 0.192 Uiso 1 1 calc R U . . .
C20B C 0.6812(3) 0.3275(6) 0.6845(6) 0.141(3) Uani 1 1 d D U . . .
H20C H 0.684606 0.365546 0.691400 0.169 Uiso 1 1 calc R U . . .
H20D H 0.681710 0.322190 0.646672 0.169 Uiso 1 1 calc R U . . .
Si1C Si 0.62073(14) 0.4963(2) 0.43109(19) 0.1483(13) Uani 1 1 d . U . . .
N2C N 0.5235(4) 0.3945(4) 0.4442(5) 0.137(3) Uani 1 1 d . U . . .
C3C C 0.5087(5) 0.3942(6) 0.3953(6) 0.140(4) Uani 1 1 d . U . . .
H3C H 0.487236 0.371166 0.387873 0.168 Uiso 1 1 calc R U . . .
C4C C 0.5231(5) 0.4255(6) 0.3559(6) 0.148(4) Uani 1 1 d . U . . .
H4C H 0.510411 0.427499 0.323164 0.178 Uiso 1 1 calc R U . . .
C5C C 0.5592(5) 0.4557(6) 0.3675(6) 0.139(3) Uani 1 1 d . U . . .
H5C H 0.571657 0.474474 0.340338 0.167 Uiso 1 1 calc R U . . .
N5 N 0.500000 0.500000 0.5666(4) 0.069(2) Uani 1 2 d DS TU P . .
O5 O 0.500000 0.500000 0.8321(4) 0.155(4) Uani 1 2 d DS TU P . .
C6C C 0.5758(4) 0.4579(6) 0.4164(7) 0.136(3) Uani 1 1 d . U . . .
O6 O 0.500000 0.500000 0.5183(4) 0.164(5) Uani 1 2 d DS TU P . .
C7C C 0.5578(4) 0.4273(5) 0.4556(6) 0.129(3) Uani 1 1 d . U . . .
H7C H 0.568121 0.428140 0.489724 0.155 Uiso 1 1 calc R U . . .
O7 O 0.5030(4) 0.5424(2) 0.7613(4) 0.190(4) Uani 1 1 d D U . . .
C8C C 0.6509(5) 0.4904(8) 0.3688(8) 0.191(6) Uani 1 1 d . U . . .
H8CA H 0.665921 0.522841 0.363234 0.286 Uiso 1 1 calc R U . . .
H8CB H 0.632909 0.484600 0.339621 0.286 Uiso 1 1 calc R U . . .
H8CC H 0.669194 0.460617 0.371660 0.286 Uiso 1 1 calc R U . . .
N9C N 0.5566(3) 0.6258(5) 0.4734(4) 0.126(3) Uani 1 1 d . U . . .
C10C C 0.5814(5) 0.6662(6) 0.4638(6) 0.136(4) Uani 1 1 d . U . . .
H10C H 0.571935 0.701076 0.468664 0.163 Uiso 1 1 calc R U . . .
C11C C 0.6221(5) 0.6587(6) 0.4463(6) 0.140(4) Uani 1 1 d . U . . .
H11C H 0.639812 0.687340 0.441380 0.168 Uiso 1 1 calc R U . . .
C12C C 0.6330(5) 0.6080(6) 0.4374(6) 0.143(4) Uani 1 1 d . U . . .
H12C H 0.659387 0.601075 0.426414 0.172 Uiso 1 1 calc R U . . .
C13C C 0.6068(5) 0.5650(6) 0.4438(6) 0.138(3) Uani 1 1 d . U . . .
C14C C 0.5682(4) 0.5780(6) 0.4649(5) 0.124(3) Uani 1 1 d . U . . .
H14C H 0.550505 0.550093 0.472907 0.148 Uiso 1 1 calc R U . . .
C15C C 0.6436(6) 0.4678(6) 0.4877(8) 0.192(4) Uani 1 1 d D U . . .
H15C H 0.622719 0.466933 0.515097 0.230 Uiso 1 1 calc R U . . .
C16C C 0.6590(6) 0.4117(6) 0.4825(7) 0.205(5) Uani 1 1 d D U . . .
H16E H 0.637656 0.389168 0.468384 0.245 Uiso 1 1 calc R U . . .
H16F H 0.681235 0.411300 0.457622 0.245 Uiso 1 1 calc R U . . .
C17C C 0.6728(7) 0.3891(7) 0.5327(8) 0.228(6) Uani 1 1 d D U . . .
H17E H 0.650352 0.387069 0.557223 0.273 Uiso 1 1 calc R U . . .
H17F H 0.683041 0.353008 0.527154 0.273 Uiso 1 1 calc R U . . .
C18C C 0.7037(7) 0.4220(8) 0.5538(10) 0.245(6) Uani 1 1 d D U . . .
H18E H 0.726445 0.422564 0.529754 0.294 Uiso 1 1 calc R U . . .
H18F H 0.712849 0.406949 0.586976 0.294 Uiso 1 1 calc R U . . .
C19C C 0.6890(7) 0.4787(8) 0.5628(8) 0.241(6) Uani 1 1 d D U . . .
H19E H 0.710210 0.500104 0.578762 0.289 Uiso 1 1 calc R U . . .
H19F H 0.665870 0.478598 0.586342 0.289 Uiso 1 1 calc R U . . .
C20C C 0.6767(7) 0.5033(8) 0.5081(8) 0.224(5) Uani 1 1 d D U . . .
H20E H 0.667125 0.539902 0.512310 0.269 Uiso 1 1 calc R U . . .
H20F H 0.699549 0.503391 0.484146 0.269 Uiso 1 1 calc R U . . .
Si1D Si 0.62148(11) 0.48058(15) 0.91375(17) 0.1236(11) Uani 1 1 d . U . . .
N2D N 0.5423(3) 0.3633(4) 0.8773(4) 0.107(2) Uani 1 1 d . U . . .
C3D C 0.5616(4) 0.3203(5) 0.8850(5) 0.111(3) Uani 1 1 d . U . . .
H3D H 0.549471 0.287166 0.878753 0.134 Uiso 1 1 calc R U . . .
C4D C 0.6001(4) 0.3230(5) 0.9026(5) 0.114(3) Uani 1 1 d . U . . .
H4D H 0.614255 0.291276 0.908729 0.137 Uiso 1 1 calc R U . . .
C5D C 0.6175(4) 0.3674(5) 0.9111(5) 0.118(3) Uani 1 1 d . U . . .
H5D H 0.644215 0.368012 0.922487 0.141 Uiso 1 1 calc R U . . .
C6D C 0.5968(4) 0.4154(5) 0.9034(5) 0.114(3) Uani 1 1 d . U . . .
C7D C 0.5591(4) 0.4096(5) 0.8855(5) 0.111(3) Uani 1 1 d . U . . .
H7D H 0.544096 0.440396 0.878521 0.134 Uiso 1 1 calc R U . . .
C8D C 0.6569(4) 0.4774(6) 0.9688(6) 0.146(5) Uani 1 1 d . U . . .
H8DA H 0.668025 0.512483 0.974991 0.219 Uiso 1 1 calc R U . . .
H8DB H 0.678314 0.452831 0.960461 0.219 Uiso 1 1 calc R U . . .
H8DC H 0.642995 0.465363 0.999788 0.219 Uiso 1 1 calc R U . . .
N9D N 0.5365(3) 0.6006(4) 0.9045(4) 0.113(3) Uani 1 1 d . U . . .
C10D C 0.5260(4) 0.6048(5) 0.9543(6) 0.122(3) Uani 1 1 d . U . . .
H10D H 0.508264 0.632221 0.963504 0.146 Uiso 1 1 calc R U . . .
C11D C 0.5389(5) 0.5731(6) 0.9917(6) 0.136(4) Uani 1 1 d . U . . .
H11D H 0.527686 0.573619 1.025310 0.163 Uiso 1 1 calc R U . . .
C12D C 0.5686(4) 0.5405(6) 0.9793(6) 0.134(3) Uani 1 1 d . U . . .
H12D H 0.582297 0.523205 1.006444 0.160 Uiso 1 1 calc R U . . .
C13D C 0.5800(4) 0.5308(5) 0.9304(6) 0.120(3) Uani 1 1 d . U . . .
C14D C 0.5635(4) 0.5654(5) 0.8949(6) 0.117(3) Uani 1 1 d . U . . .
H14D H 0.572699 0.563052 0.860309 0.141 Uiso 1 1 calc R U . . .
C15D C 0.6466(4) 0.4990(5) 0.8533(6) 0.136(3) Uani 1 1 d D U . . .
H15D H 0.626389 0.502856 0.825322 0.163 Uiso 1 1 calc R U . . .
C16D C 0.6695(4) 0.5523(5) 0.8593(6) 0.148(4) Uani 1 1 d D U . . .
H16G H 0.650714 0.580756 0.868245 0.178 Uiso 1 1 calc R U . . .
H16H H 0.689214 0.549320 0.887415 0.178 Uiso 1 1 calc R U . . .
C17D C 0.6906(4) 0.5654(6) 0.8080(6) 0.149(4) Uani 1 1 d D U . . .
H17G H 0.670454 0.571026 0.780798 0.179 Uiso 1 1 calc R U . . .
H17H H 0.705560 0.598665 0.812197 0.179 Uiso 1 1 calc R U . . .
C18D C 0.7176(4) 0.5243(6) 0.7916(7) 0.156(4) Uani 1 1 d D U . . .
H18G H 0.738615 0.519795 0.817875 0.187 Uiso 1 1 calc R U . . .
H18H H 0.730395 0.534798 0.758768 0.187 Uiso 1 1 calc R U . . .
C19D C 0.6961(4) 0.4727(6) 0.7840(6) 0.156(4) Uani 1 1 d D U . . .
H19G H 0.715036 0.444913 0.773486 0.187 Uiso 1 1 calc R U . . .
H19H H 0.675756 0.476275 0.756776 0.187 Uiso 1 1 calc R U . . .
C20D C 0.6757(4) 0.4574(5) 0.8380(6) 0.141(4) Uani 1 1 d D U . . .
H20G H 0.662003 0.423207 0.834589 0.170 Uiso 1 1 calc R U . . .
H20H H 0.696301 0.453948 0.864987 0.170 Uiso 1 1 calc R U . . .
Si1E Si 0.37302(12) 0.23656(18) 0.18881(18) 0.1376(12) Uani 1 1 d . U . . .
N2E N 0.4450(3) 0.2048(4) 0.3138(5) 0.129(3) Uani 1 1 d . U . . .
C3E C 0.4186(4) 0.2107(5) 0.3550(6) 0.126(3) Uani 1 1 d . U . . .
H3E H 0.427446 0.203506 0.389127 0.152 Uiso 1 1 calc R U . . .
C4E C 0.3813(4) 0.2262(6) 0.3477(7) 0.137(4) Uani 1 1 d . U . . .
H4E H 0.364211 0.231209 0.376387 0.165 Uiso 1 1 calc R U . . .
C5E C 0.3674(4) 0.2349(6) 0.2975(7) 0.137(3) Uani 1 1 d . U . . .
H5E H 0.341067 0.247082 0.292520 0.164 Uiso 1 1 calc R U . . .
C6E C 0.3911(4) 0.2263(6) 0.2554(6) 0.134(3) Uani 1 1 d . U . . .
C7E C 0.4296(4) 0.2106(6) 0.2657(6) 0.129(3) Uani 1 1 d . U . . .
H7E H 0.446372 0.203532 0.237092 0.155 Uiso 1 1 calc R U . . .
C8E C 0.3341(4) 0.2918(6) 0.1870(7) 0.156(5) Uani 1 1 d . U . . .
H8EA H 0.345914 0.324586 0.199646 0.234 Uiso 1 1 calc R U . . .
H8EB H 0.311599 0.282221 0.209045 0.234 Uiso 1 1 calc R U . . .
H8EC H 0.324864 0.296787 0.151475 0.234 Uiso 1 1 calc R U . . .
N9E N 0.4669(3) 0.2324(4) 0.0826(4) 0.119(2) Uani 1 1 d . U . . .
C10E C 0.4766(4) 0.2838(5) 0.0798(5) 0.122(3) Uani 1 1 d . U . . .
H10E H 0.498111 0.292814 0.057838 0.146 Uiso 1 1 calc R U . . .
C11E C 0.4580(5) 0.3252(6) 0.1063(6) 0.138(4) Uani 1 1 d . U . . .
H11E H 0.465848 0.360714 0.101116 0.166 Uiso 1 1 calc R U . . .
C12E C 0.4273(5) 0.3122(6) 0.1406(6) 0.143(4) Uani 1 1 d . U . . .
H12E H 0.415697 0.338077 0.162290 0.172 Uiso 1 1 calc R U . . .
C13E C 0.4139(4) 0.2576(6) 0.1417(6) 0.133(3) Uani 1 1 d . U . . .
C14E C 0.4352(4) 0.2191(6) 0.1170(6) 0.128(3) Uani 1 1 d . U . . .
H14E H 0.428804 0.183180 0.122782 0.154 Uiso 1 1 calc R U . . .
C15E C 0.3524(4) 0.1751(6) 0.1648(5) 0.147(3) Uani 1 1 d D U . . .
H15E H 0.374107 0.148474 0.162533 0.176 Uiso 1 1 calc R U . . .
C16E C 0.3199(5) 0.1540(7) 0.2028(6) 0.168(4) Uani 1 1 d D U . . .
H16I H 0.331459 0.148340 0.237445 0.202 Uiso 1 1 calc R U . . .
H16J H 0.298125 0.179908 0.205844 0.202 Uiso 1 1 calc R U . . .
C17E C 0.3039(5) 0.1011(7) 0.1806(6) 0.173(4) Uani 1 1 d D U . . .
H17I H 0.326057 0.076487 0.174176 0.207 Uiso 1 1 calc R U . . .
H17J H 0.285494 0.084549 0.205586 0.207 Uiso 1 1 calc R U . . .
C18E C 0.2833(5) 0.1124(8) 0.1327(6) 0.182(5) Uani 1 1 d D U . . .
H18I H 0.263039 0.139861 0.138635 0.218 Uiso 1 1 calc R U . . .
H18J H 0.269651 0.080245 0.120315 0.218 Uiso 1 1 calc R U . . .
C19E C 0.3128(5) 0.1312(7) 0.0917(6) 0.168(4) Uani 1 1 d D U . . .
H19I H 0.298559 0.138745 0.059071 0.201 Uiso 1 1 calc R U . . .
H19J H 0.332453 0.103172 0.084767 0.201 Uiso 1 1 calc R U . . .
C20E C 0.3353(5) 0.1836(6) 0.1111(6) 0.158(4) Uani 1 1 d D U . . .
H20I H 0.356877 0.192506 0.086797 0.190 Uiso 1 1 calc R U . . .
H20J H 0.316427 0.213444 0.111869 0.190 Uiso 1 1 calc R U . . .
Si1F Si 0.61475(13) 0.2501(2) 0.1788(2) 0.1448(13) Uani 1 1 d . U . . .
N2F N 0.5240(3) 0.2360(4) 0.2847(5) 0.130(3) Uani 1 1 d . U . . .
C3F C 0.5079(5) 0.2847(6) 0.2863(6) 0.137(3) Uani 1 1 d . U . . .
H3F H 0.486672 0.292075 0.309253 0.164 Uiso 1 1 calc R U . . .
C4F C 0.5227(5) 0.3240(7) 0.2539(6) 0.148(4) Uani 1 1 d . U . . .
H4F H 0.511319 0.358144 0.254053 0.177 Uiso 1 1 calc R U . . .
C5F C 0.5538(5) 0.3127(7) 0.2218(7) 0.148(4) Uani 1 1 d . U . . .
H5F H 0.563455 0.339163 0.199138 0.178 Uiso 1 1 calc R U . . .
C6F C 0.5703(5) 0.2673(7) 0.2219(6) 0.140(3) Uani 1 1 d . U . . .
C7F C 0.5527(4) 0.2305(6) 0.2501(6) 0.127(3) Uani 1 1 d . U . . .
H7F H 0.561812 0.195566 0.244797 0.153 Uiso 1 1 calc R U . . .
C8F C 0.6458(5) 0.3067(7) 0.1762(8) 0.178(6) Uani 1 1 d . U . . .
H8FA H 0.651821 0.315114 0.140145 0.267 Uiso 1 1 calc R U . . .
H8FB H 0.670504 0.299566 0.194841 0.267 Uiso 1 1 calc R U . . .
H8FC H 0.632185 0.336535 0.192305 0.267 Uiso 1 1 calc R U . . .
N9F N 0.5461(3) 0.2066(4) 0.0532(5) 0.118(3) Uani 1 1 d . U . . .
C10F C 0.5694(4) 0.2179(5) 0.0142(6) 0.128(3) Uani 1 1 d . U . . .
H10F H 0.559254 0.214965 -0.019887 0.153 Uiso 1 1 calc R U . . .
C11F C 0.6086(5) 0.2340(6) 0.0208(6) 0.137(4) Uani 1 1 d . U . . .
H11F H 0.625729 0.237825 -0.008009 0.165 Uiso 1 1 calc R U . . .
C12F C 0.6214(5) 0.2438(6) 0.0684(6) 0.134(3) Uani 1 1 d . U . . .
H12F H 0.648133 0.254379 0.073198 0.161 Uiso 1 1 calc R U . . .
C13F C 0.5968(4) 0.2390(6) 0.1117(6) 0.131(3) Uani 1 1 d . U . . .
C14F C 0.5611(4) 0.2150(5) 0.1001(6) 0.122(3) Uani 1 1 d . U . . .
H14F H 0.545651 0.203251 0.128494 0.147 Uiso 1 1 calc R U . . .
C15F C 0.6399(4) 0.1893(7) 0.2037(5) 0.150(3) Uani 1 1 d D U . . .
H15F H 0.619631 0.160597 0.204597 0.180 Uiso 1 1 calc R U . . .
C16F C 0.6734(4) 0.1707(7) 0.1698(5) 0.155(4) Uani 1 1 d D U . . .
H16K H 0.692168 0.200184 0.165244 0.186 Uiso 1 1 calc R U . . .
H16L H 0.662402 0.162060 0.135408 0.186 Uiso 1 1 calc R U . . .
C17F C 0.6966(5) 0.1227(7) 0.1895(6) 0.159(4) Uani 1 1 d D U . . .
H17K H 0.679549 0.091111 0.186561 0.191 Uiso 1 1 calc R U . . .
H17L H 0.719900 0.117223 0.166981 0.191 Uiso 1 1 calc R U . . .
C18F C 0.7100(5) 0.1272(8) 0.2422(6) 0.172(4) Uani 1 1 d D U . . .
H18K H 0.731643 0.153400 0.243638 0.207 Uiso 1 1 calc R U . . .
H18L H 0.720948 0.092943 0.253298 0.207 Uiso 1 1 calc R U . . .
C19F C 0.6772(5) 0.1438(7) 0.2806(6) 0.176(4) Uani 1 1 d D U . . .
H19K H 0.689005 0.150182 0.315083 0.211 Uiso 1 1 calc R U . . .
H19L H 0.657437 0.115293 0.283928 0.211 Uiso 1 1 calc R U . . .
C20F C 0.6562(5) 0.1963(7) 0.2603(6) 0.164(4) Uani 1 1 d D U . . .
H20K H 0.633970 0.205395 0.283676 0.197 Uiso 1 1 calc R U . . .
H20L H 0.675394 0.225679 0.261059 0.197 Uiso 1 1 calc R U . . .
Si1G Si 0.60509(11) 0.00211(16) 0.32738(14) 0.1207(10) Uani 1 1 d . U . . .
N2G N 0.5534(3) 0.1444(5) 0.3443(4) 0.126(3) Uani 1 1 d . U . . .
C3G C 0.5769(5) 0.1736(7) 0.3758(6) 0.137(3) Uani 1 1 d . U . . .
H3G H 0.569620 0.208634 0.384371 0.164 Uiso 1 1 calc R U . . .
C4G C 0.6107(5) 0.1529(6) 0.3948(6) 0.141(4) Uani 1 1 d D U . . .
H4G H 0.627255 0.174090 0.415941 0.169 Uiso 1 1 calc R U . . .
C5G C 0.6226(5) 0.0981(6) 0.3838(6) 0.138(3) Uani 1 1 d D U . . .
H5G H 0.644270 0.081852 0.400856 0.165 Uiso 1 1 calc R U . . .
C6G C 0.5986(4) 0.0700(6) 0.3444(5) 0.128(3) Uani 1 1 d . U . . .
C7G C 0.5620(4) 0.0980(6) 0.3291(6) 0.126(3) Uani 1 1 d . U . . .
H7G H 0.543896 0.080536 0.306849 0.152 Uiso 1 1 calc R U . . .
C8G C 0.5971(4) -0.0055(6) 0.2576(5) 0.129(4) Uani 1 1 d . U . . .
H8GA H 0.599999 -0.042588 0.248096 0.193 Uiso 1 1 calc R U . . .
H8GB H 0.616691 0.015572 0.238775 0.193 Uiso 1 1 calc R U . . .
H8GC H 0.570400 0.006586 0.248706 0.193 Uiso 1 1 calc R U . . .
N9G N 0.5239(3) -0.1146(4) 0.3649(4) 0.123(3) Uani 1 1 d . U . . .
C10G C 0.5147(4) -0.1026(6) 0.4101(5) 0.124(3) Uani 1 1 d . U . . .
H10G H 0.497029 -0.125464 0.427788 0.149 Uiso 1 1 calc R U . . .
C11G C 0.5284(4) -0.0575(5) 0.4371(6) 0.128(3) Uani 1 1 d . U . . .
H11G H 0.519774 -0.049551 0.471094 0.154 Uiso 1 1 calc R U . . .
C12G C 0.5548(4) -0.0261(5) 0.4110(6) 0.128(3) Uani 1 1 d . U . . .
H12G H 0.566032 0.003625 0.427750 0.153 Uiso 1 1 calc R U . . .
C13G C 0.5654(4) -0.0375(5) 0.3598(5) 0.118(3) Uani 1 1 d . U . . .
C14G C 0.5489(4) -0.0804(5) 0.3389(5) 0.117(3) Uani 1 1 d . U . . .
H14G H 0.554835 -0.087975 0.303821 0.140 Uiso 1 1 calc R U . . .
C15G C 0.6523(4) -0.0235(5) 0.3506(6) 0.137(3) Uani 1 1 d D U . . .
H15G H 0.653590 -0.016089 0.388436 0.164 Uiso 1 1 calc R U . . .
C16G C 0.6880(4) 0.0041(6) 0.3255(6) 0.148(4) Uani 1 1 d D U . . .
H16M H 0.687719 0.041903 0.334768 0.178 Uiso 1 1 calc R U . . .
H16N H 0.685912 0.001416 0.287443 0.178 Uiso 1 1 calc R U . . .
C17G C 0.7276(4) -0.0206(6) 0.3433(7) 0.152(4) Uani 1 1 d D U . . .
H17M H 0.749719 -0.003948 0.324170 0.182 Uiso 1 1 calc R U . . .
H17N H 0.731516 -0.013254 0.380479 0.182 Uiso 1 1 calc R U . . .
C18G C 0.7289(4) -0.0764(6) 0.3351(7) 0.166(4) Uani 1 1 d D U . . .
H18M H 0.754771 -0.090069 0.346965 0.200 Uiso 1 1 calc R U . . .
H18N H 0.726609 -0.083645 0.297664 0.200 Uiso 1 1 calc R U . . .
C19G C 0.6958(4) -0.1051(6) 0.3636(7) 0.163(4) Uani 1 1 d D U . . .
H19M H 0.698562 -0.100172 0.401375 0.196 Uiso 1 1 calc R U . . .
H19N H 0.696789 -0.143280 0.356031 0.196 Uiso 1 1 calc R U . . .
C20G C 0.6551(4) -0.0810(5) 0.3442(7) 0.154(4) Uani 1 1 d D U . . .
H20M H 0.651608 -0.089679 0.307239 0.185 Uiso 1 1 calc R U . . .
H20N H 0.633103 -0.097698 0.363499 0.185 Uiso 1 1 calc R U . . .
Si1H Si 0.39372(10) -0.00755(16) 0.04472(14) 0.1163(10) Uani 1 1 d . U . . .
N2H N 0.4386(3) 0.1401(5) 0.0255(4) 0.121(3) Uani 1 1 d . U . . .
C3H C 0.4133(4) 0.1659(6) -0.0047(5) 0.124(3) Uani 1 1 d . U . . .
H3H H 0.417567 0.201666 -0.013998 0.149 Uiso 1 1 calc R U . . .
C4H C 0.3796(4) 0.1374(6) -0.0225(5) 0.125(3) Uani 1 1 d . U . . .
H4H H 0.360688 0.154716 -0.043728 0.150 Uiso 1 1 calc R U . . .
C5H C 0.3743(4) 0.0904(6) -0.0109(5) 0.122(3) Uani 1 1 d . U . . .
H5H H 0.352546 0.072106 -0.025777 0.147 Uiso 1 1 calc R U . . .
C6H C 0.4000(4) 0.0625(6) 0.0243(5) 0.120(3) Uani 1 1 d . U . . .
C7H C 0.4310(4) 0.0895(6) 0.0388(5) 0.116(3) Uani 1 1 d . U . . .
H7H H 0.449674 0.072342 0.060349 0.140 Uiso 1 1 calc R U . . .
C8H C 0.4023(4) -0.0155(6) 0.1145(5) 0.135(4) Uani 1 1 d . U . . .
H8HA H 0.379737 -0.001122 0.133683 0.203 Uiso 1 1 calc R U . . .
H8HB H 0.426478 0.003337 0.124401 0.203 Uiso 1 1 calc R U . . .
H8HC H 0.405284 -0.052953 0.122657 0.203 Uiso 1 1 calc R U . . .
N9H N 0.4822(3) -0.1141(4) 0.0067(4) 0.119(3) Uani 1 1 d . U . . .
C10H C 0.4909(4) -0.0999(6) -0.0432(5) 0.128(3) Uani 1 1 d . U . . .
H10H H 0.510594 -0.119314 -0.061161 0.154 Uiso 1 1 calc R U . . .
C11H C 0.4722(4) -0.0583(6) -0.0690(6) 0.124(3) Uani 1 1 d . U . . .
H11H H 0.479205 -0.049582 -0.103426 0.149 Uiso 1 1 calc R U . . .
C12H C 0.4434(4) -0.0304(5) -0.0432(5) 0.116(3) Uani 1 1 d . U . . .
H12H H 0.429573 -0.002605 -0.059845 0.140 Uiso 1 1 calc R U . . .
C13H C 0.4348(4) -0.0440(5) 0.0090(5) 0.115(3) Uani 1 1 d . U . . .
C14H C 0.4546(4) -0.0863(5) 0.0318(5) 0.115(3) Uani 1 1 d . U . . .
H14H H 0.448208 -0.095713 0.066333 0.138 Uiso 1 1 calc R U . . .
C15H C 0.3451(4) -0.0352(6) 0.0243(7) 0.150(3) Uani 1 1 d D U . . .
H15H H 0.343276 -0.028463 -0.013659 0.180 Uiso 1 1 calc R U . . .
C16H C 0.3094(3) -0.0074(6) 0.0483(7) 0.163(4) Uani 1 1 d D U . . .
H16O H 0.312506 -0.007893 0.086309 0.196 Uiso 1 1 calc R U . . .
H16P H 0.309777 0.029892 0.037225 0.196 Uiso 1 1 calc R U . . .
C17H C 0.2691(4) -0.0304(6) 0.0350(8) 0.176(4) Uani 1 1 d D U . . .
H17O H 0.248442 -0.013031 0.056044 0.211 Uiso 1 1 calc R U . . .
H17P H 0.263159 -0.023760 -0.001831 0.211 Uiso 1 1 calc R U . . .
C18H C 0.2685(5) -0.0869(7) 0.0448(8) 0.188(5) Uani 1 1 d D U . . .
H18O H 0.242728 -0.101133 0.033058 0.226 Uiso 1 1 calc R U . . .
H18P H 0.270324 -0.092775 0.082506 0.226 Uiso 1 1 calc R U . . .
C19H C 0.3013(4) -0.1170(7) 0.0186(8) 0.180(5) Uani 1 1 d D U . . .
H19O H 0.296779 -0.116757 -0.019196 0.216 Uiso 1 1 calc R U . . .
H19P H 0.300647 -0.154063 0.030321 0.216 Uiso 1 1 calc R U . . .
C20H C 0.3435(4) -0.0932(6) 0.0303(8) 0.168(4) Uani 1 1 d D U . . .
H20O H 0.351119 -0.102448 0.066020 0.201 Uiso 1 1 calc R U . . .
H20P H 0.363041 -0.109394 0.006659 0.201 Uiso 1 1 calc R U . . .
N1N N 0.4836(5) 0.2369(8) 0.9062(8) 0.245(7) Uani 1 1 d D U . . .
O2N O 0.4536(5) 0.2206(8) 0.8839(7) 0.279(7) Uani 1 1 d D U . . .
O3N O 0.5144(5) 0.2080(7) 0.9014(7) 0.253(6) Uani 1 1 d D U . . .
O4N O 0.4801(5) 0.2596(5) 0.9476(5) 0.231(6) Uani 1 1 d D U . . .
N5N N 0.4952(6) 0.2328(7) 0.4476(7) 0.166(4) Uani 1 1 d . U . A -1
O6N O 0.5044(5) 0.2661(5) 0.4136(5) 0.173(4) Uani 1 1 d . U . A -1
O7N O 0.4650(5) 0.2155(5) 0.4666(5) 0.178(4) Uani 1 1 d . U . A -1
O8N O 0.5231(4) 0.2080(5) 0.4733(5) 0.187(4) Uani 1 1 d . U . A -1
N6 N 0.5585(11) 0.1522(14) 0.5727(15) 0.280(18) Uani 0.354(14) 1 d D U P B -2
O25 O 0.5822(14) 0.153(2) 0.5359(17) 0.283(19) Uani 0.354(14) 1 d D U P B -2
O24 O 0.5657(16) 0.178(2) 0.6117(18) 0.293(19) Uani 0.354(14) 1 d D U P B -2
O23 O 0.5311(14) 0.1196(19) 0.573(2) 0.285(19) Uani 0.354(14) 1 d D U P B -2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0047 0.0022 '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'
N N 0.0089 0.0045 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0150 0.0081 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.1026 0.0917 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.7364 1.2670 '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
O10 N7 O9 119.5(15) . . ?
O10 N7 O8 116.9(15) . . ?
O9 N7 O8 116.9(15) . . ?
O18 N10 O17 119.8(14) . . ?
O18 N10 O19 118.7(14) . . ?
O17 N10 O19 120.0(14) . . ?
O21 N8 O22 119.0(14) . . ?
O21 N8 O20 121.4(15) . . ?
O22 N8 O20 119.5(14) . . ?
O2 N1 O3 112.3(8) . . ?
O2 N1 O1 112.1(8) . . ?
O3 N1 O1 133.5(9) . . ?
O12 N2 O11 114.5(12) . . ?
O12 N2 O13 114.6(11) . . ?
O11 N2 O13 110.7(11) . . ?
O15 N4 O16 120.3(13) . . ?
O15 N4 O14 115.7(11) . . ?
O16 N4 O14 115.7(12) . . ?
N2C Pd1 N2A 177.1(5) . . ?
N2C Pd1 N2B 92.5(5) . . ?
N2A Pd1 N2B 87.1(5) . . ?
N2C Pd1 N9C 90.1(5) . 2_665 ?
N2A Pd1 N9C 90.3(5) . 2_665 ?
N2B Pd1 N9C 177.2(5) . 2_665 ?
N9D Pd2 N9A 92.1(4) 2_665 . ?
N9D Pd2 N9B 179.0(4) 2_665 . ?
N9A Pd2 N9B 87.7(4) . . ?
N9D Pd2 N2D 91.2(4) 2_665 . ?
N9A Pd2 N2D 175.2(4) . . ?
N9B Pd2 N2D 89.1(4) . . ?
N2E Pd3 N9G 90.0(5) . 2_655 ?
N2E Pd3 N2G 175.5(5) . . ?
N9G Pd3 N2G 86.2(5) 2_655 . ?
N2E Pd3 N2F 90.6(5) . . ?
N9G Pd3 N2F 177.9(4) 2_655 . ?
N2G Pd3 N2F 93.2(5) . . ?
O7 N3 O7 124.4(11) 2_665 . ?
O7 N3 O5 117.8(5) 2_665 . ?
O7 N3 O5 117.8(5) . . ?
N9E Pd4 N9H 175.7(4) . 2_655 ?
N9E Pd4 N9F 90.9(5) . . ?
N9H Pd4 N9F 88.9(4) 2_655 . ?
N9E Pd4 N2H 93.0(4) . . ?
N9H Pd4 N2H 87.3(4) 2_655 . ?
N9F Pd4 N2H 175.5(5) . . ?
C13A Si1A C8A 110.9(6) . . ?
C13A Si1A C4A 102.5(6) . . ?
C8A Si1A C4A 109.2(6) . . ?
C13A Si1A C15A 109.6(7) . . ?
C8A Si1A C15A 114.6(7) . . ?
C4A Si1A C15A 109.4(6) . . ?
C3A N2A C7A 124.3(12) . . ?
C3A N2A Pd1 116.3(9) . . ?
C7A N2A Pd1 119.1(9) . . ?
N2A C3A C4A 120.2(12) . . ?
N2A C3A H3A 119.9 . . ?
C4A C3A H3A 119.9 . . ?
C5A C4A C3A 114.9(12) . . ?
C5A C4A Si1A 125.6(11) . . ?
C3A C4A Si1A 117.9(10) . . ?
C4A C5A C6A 124.8(13) . . ?
C4A C5A H5A 117.6 . . ?
C6A C5A H5A 117.6 . . ?
C5A C6A C7A 118.3(13) . . ?
C5A C6A H6A 120.9 . . ?
C7A C6A H6A 120.9 . . ?
N2A C7A C6A 116.9(12) . . ?
N2A C7A H7A 121.5 . . ?
C6A C7A H7A 121.5 . . ?
Si1A C8A H8AA 109.5 . . ?
Si1A C8A H8AB 109.5 . . ?
H8AA C8A H8AB 109.5 . . ?
Si1A C8A H8AC 109.5 . . ?
H8AA C8A H8AC 109.5 . . ?
H8AB C8A H8AC 109.5 . . ?
C10A N9A C14A 120.7(12) . . ?
C10A N9A Pd2 120.3(10) . . ?
C14A N9A Pd2 118.8(8) . . ?
N9A C10A C11A 119.2(14) . . ?
N9A C10A H10A 120.4 . . ?
C11A C10A H10A 120.4 . . ?
C12A C11A C10A 122.8(13) . . ?
C12A C11A H11A 118.6 . . ?
C10A C11A H11A 118.6 . . ?
C11A C12A C13A 116.3(14) . . ?
C11A C12A H12A 121.9 . . ?
C13A C12A H12A 121.9 . . ?
C12A C13A C14A 115.3(13) . . ?
C12A C13A Si1A 125.3(11) . . ?
C14A C13A Si1A 119.4(10) . . ?
N9A C14A C13A 125.8(12) . . ?
N9A C14A H14A 117.1 . . ?
C13A C14A H14A 117.1 . . ?
C16A C15A C20A 103.3(14) . . ?
C16A C15A Si1A 113.5(11) . . ?
C20A C15A Si1A 107.7(10) . . ?
C16A C15A H15A 110.7 . . ?
C20A C15A H15A 110.7 . . ?
Si1A C15A H15A 110.7 . . ?
C15A C16A C17A 113.3(15) . . ?
C15A C16A H16A 108.9 . . ?
C17A C16A H16A 108.9 . . ?
C15A C16A H16B 108.9 . . ?
C17A C16A H16B 108.9 . . ?
H16A C16A H16B 107.7 . . ?
C18A C17A C16A 109.4(15) . . ?
C18A C17A H17A 109.8 . . ?
C16A C17A H17A 109.8 . . ?
C18A C17A H17B 109.8 . . ?
C16A C17A H17B 109.8 . . ?
H17A C17A H17B 108.2 . . ?
C17A C18A C19A 115.4(18) . . ?
C17A C18A H18A 108.4 . . ?
C19A C18A H18A 108.4 . . ?
C17A C18A H18B 108.4 . . ?
C19A C18A H18B 108.4 . . ?
H18A C18A H18B 107.5 . . ?
C18A C19A C20A 102.8(14) . . ?
C18A C19A H19A 111.2 . . ?
C20A C19A H19A 111.2 . . ?
C18A C19A H19B 111.2 . . ?
C20A C19A H19B 111.2 . . ?
H19A C19A H19B 109.1 . . ?
C19A C20A C15A 103.6(15) . . ?
C19A C20A H20A 111.0 . . ?
C15A C20A H20A 111.0 . . ?
C19A C20A H20B 111.0 . . ?
C15A C20A H20B 111.0 . . ?
H20A C20A H20B 109.0 . . ?
C15B Si1B C6B 112.4(7) . . ?
C15B Si1B C8B 111.8(7) . . ?
C6B Si1B C8B 109.9(7) . . ?
C15B Si1B C13B 106.9(6) . . ?
C6B Si1B C13B 106.9(6) . . ?
C8B Si1B C13B 108.7(6) . . ?
C7B N2B C3B 119.8(12) . . ?
C7B N2B Pd1 121.4(9) . . ?
C3B N2B Pd1 118.0(9) . . ?
C4B C3B N2B 120.6(15) . . ?
C4B C3B H3B 119.7 . . ?
N2B C3B H3B 119.7 . . ?
C3B C4B C5B 121.7(14) . . ?
C3B C4B H4B 119.2 . . ?
C5B C4B H4B 119.2 . . ?
C4B C5B C6B 117.4(13) . . ?
C4B C5B H5B 121.3 . . ?
C6B C5B H5B 121.3 . . ?
C7B C6B C5B 113.6(13) . . ?
C7B C6B Si1B 123.5(10) . . ?
C5B C6B Si1B 122.8(10) . . ?
N2B C7B C6B 126.6(13) . . ?
N2B C7B H7B 116.7 . . ?
C6B C7B H7B 116.7 . . ?
Si1B C8B H8BA 109.5 . . ?
Si1B C8B H8BB 109.5 . . ?
H8BA C8B H8BB 109.5 . . ?
Si1B C8B H8BC 109.5 . . ?
H8BA C8B H8BC 109.5 . . ?
H8BB C8B H8BC 109.5 . . ?
C14B N9B C10B 119.2(12) . . ?
C14B N9B Pd2 118.7(9) . . ?
C10B N9B Pd2 122.1(9) . . ?
C11B C10B N9B 119.1(14) . . ?
C11B C10B H10B 120.4 . . ?
N9B C10B H10B 120.4 . . ?
C10B C11B C12B 122.0(14) . . ?
C10B C11B H11B 119.0 . . ?
C12B C11B H11B 119.0 . . ?
C11B C12B C13B 122.2(13) . . ?
C11B C12B H12B 118.9 . . ?
C13B C12B H12B 118.9 . . ?
C14B C13B C12B 112.9(13) . . ?
C14B C13B Si1B 123.8(11) . . ?
C12B C13B Si1B 122.7(10) . . ?
N9B C14B C13B 124.3(13) . . ?
N9B C14B H14B 117.8 . . ?
C13B C14B H14B 117.8 . . ?
C20B C15B C16B 110.9(12) . . ?
C20B C15B Si1B 117.6(10) . . ?
C16B C15B Si1B 113.2(9) . . ?
C20B C15B H15B 104.6 . . ?
C16B C15B H15B 104.6 . . ?
Si1B C15B H15B 104.6 . . ?
C17B C16B C15B 116.7(13) . . ?
C17B C16B H16C 108.1 . . ?
C15B C16B H16C 108.1 . . ?
C17B C16B H16D 108.1 . . ?
C15B C16B H16D 108.1 . . ?
H16C C16B H16D 107.3 . . ?
C18B C17B C16B 111.9(13) . . ?
C18B C17B H17C 109.2 . . ?
C16B C17B H17C 109.2 . . ?
C18B C17B H17D 109.2 . . ?
C16B C17B H17D 109.2 . . ?
H17C C17B H17D 107.9 . . ?
C17B C18B C19B 112.9(14) . . ?
C17B C18B H18C 109.0 . . ?
C19B C18B H18C 109.0 . . ?
C17B C18B H18D 109.0 . . ?
C19B C18B H18D 109.0 . . ?
H18C C18B H18D 107.8 . . ?
C18B C19B C20B 110.8(12) . . ?
C18B C19B H19C 109.5 . . ?
C20B C19B H19C 109.5 . . ?
C18B C19B H19D 109.5 . . ?
C20B C19B H19D 109.5 . . ?
H19C C19B H19D 108.1 . . ?
C15B C20B C19B 111.3(11) . . ?
C15B C20B H20C 109.4 . . ?
C19B C20B H20C 109.4 . . ?
C15B C20B H20D 109.4 . . ?
C19B C20B H20D 109.4 . . ?
H20C C20B H20D 108.0 . . ?
C15C Si1C C13C 110.2(8) . . ?
C15C Si1C C6C 107.8(8) . . ?
C13C Si1C C6C 109.3(7) . . ?
C15C Si1C C8C 115.1(9) . . ?
C13C Si1C C8C 111.3(8) . . ?
C6C Si1C C8C 102.8(9) . . ?
C3C N2C C7C 119.0(13) . . ?
C3C N2C Pd1 123.2(11) . . ?
C7C N2C Pd1 117.5(10) . . ?
N2C C3C C4C 123.6(16) . . ?
N2C C3C H3C 118.2 . . ?
C4C C3C H3C 118.2 . . ?
C3C C4C C5C 116.1(15) . . ?
C3C C4C H4C 122.0 . . ?
C5C C4C H4C 122.0 . . ?
C6C C5C C4C 123.0(15) . . ?
C6C C5C H5C 118.5 . . ?
C4C C5C H5C 118.5 . . ?
O4 N5 O4 124.6(11) . 2_665 ?
O4 N5 O6 117.7(5) . . ?
O4 N5 O6 117.7(5) 2_665 . ?
C5C C6C C7C 117.3(15) . . ?
C5C C6C Si1C 122.9(13) . . ?
C7C C6C Si1C 119.8(13) . . ?
C6C C7C N2C 120.6(14) . . ?
C6C C7C H7C 119.7 . . ?
N2C C7C H7C 119.7 . . ?
Si1C C8C H8CA 109.5 . . ?
Si1C C8C H8CB 109.5 . . ?
H8CA C8C H8CB 109.5 . . ?
Si1C C8C H8CC 109.5 . . ?
H8CA C8C H8CC 109.5 . . ?
H8CB C8C H8CC 109.5 . . ?
C14C N9C C10C 119.8(13) . . ?
C14C N9C Pd1 122.3(10) . 2_665 ?
C10C N9C Pd1 117.8(10) . 2_665 ?
N9C C10C C11C 122.8(14) . . ?
N9C C10C H10C 118.6 . . ?
C11C C10C H10C 118.6 . . ?
C12C C11C C10C 115.6(15) . . ?
C12C C11C H11C 122.2 . . ?
C10C C11C H11C 122.2 . . ?
C11C C12C C13C 122.8(15) . . ?
C11C C12C H12C 118.6 . . ?
C13C C12C H12C 118.6 . . ?
C12C C13C C14C 115.5(14) . . ?
C12C C13C Si1C 123.5(12) . . ?
C14C C13C Si1C 120.9(12) . . ?
N9C C14C C13C 123.2(14) . . ?
N9C C14C H14C 118.4 . . ?
C13C C14C H14C 118.4 . . ?
C16C C15C C20C 109.5(15) . . ?
C16C C15C Si1C 116.7(13) . . ?
C20C C15C Si1C 110.8(13) . . ?
C16C C15C H15C 106.4 . . ?
C20C C15C H15C 106.4 . . ?
Si1C C15C H15C 106.4 . . ?
C17C C16C C15C 112.9(15) . . ?
C17C C16C H16E 109.0 . . ?
C15C C16C H16E 109.0 . . ?
C17C C16C H16F 109.0 . . ?
C15C C16C H16F 109.0 . . ?
H16E C16C H16F 107.8 . . ?
C18C C17C C16C 109.3(16) . . ?
C18C C17C H17E 109.8 . . ?
C16C C17C H17E 109.8 . . ?
C18C C17C H17F 109.8 . . ?
C16C C17C H17F 109.8 . . ?
H17E C17C H17F 108.3 . . ?
C17C C18C C19C 111.5(18) . . ?
C17C C18C H18E 109.3 . . ?
C19C C18C H18E 109.3 . . ?
C17C C18C H18F 109.3 . . ?
C19C C18C H18F 109.3 . . ?
H18E C18C H18F 108.0 . . ?
C18C C19C C20C 108.3(17) . . ?
C18C C19C H19E 110.0 . . ?
C20C C19C H19E 110.0 . . ?
C18C C19C H19F 110.0 . . ?
C20C C19C H19F 110.0 . . ?
H19E C19C H19F 108.4 . . ?
C15C C20C C19C 105.3(15) . . ?
C15C C20C H20E 110.7 . . ?
C19C C20C H20E 110.7 . . ?
C15C C20C H20F 110.7 . . ?
C19C C20C H20F 110.7 . . ?
H20E C20C H20F 108.8 . . ?
C15D Si1D C8D 111.4(7) . . ?
C15D Si1D C6D 107.9(6) . . ?
C8D Si1D C6D 111.0(6) . . ?
C15D Si1D C13D 110.7(6) . . ?
C8D Si1D C13D 108.7(7) . . ?
C6D Si1D C13D 107.0(6) . . ?
C3D N2D C7D 120.9(11) . . ?
C3D N2D Pd2 117.5(9) . . ?
C7D N2D Pd2 121.4(8) . . ?
N2D C3D C4D 119.0(13) . . ?
N2D C3D H3D 120.5 . . ?
C4D C3D H3D 120.5 . . ?
C5D C4D C3D 121.8(13) . . ?
C5D C4D H4D 119.1 . . ?
C3D C4D H4D 119.1 . . ?
C4D C5D C6D 120.3(13) . . ?
C4D C5D H5D 119.9 . . ?
C6D C5D H5D 119.9 . . ?
C7D C6D C5D 114.4(12) . . ?
C7D C6D Si1D 124.1(10) . . ?
C5D C6D Si1D 121.4(10) . . ?
N2D C7D C6D 123.5(12) . . ?
N2D C7D H7D 118.3 . . ?
C6D C7D H7D 118.3 . . ?
Si1D C8D H8DA 109.5 . . ?
Si1D C8D H8DB 109.5 . . ?
H8DA C8D H8DB 109.5 . . ?
Si1D C8D H8DC 109.5 . . ?
H8DA C8D H8DC 109.5 . . ?
H8DB C8D H8DC 109.5 . . ?
C14D N9D C10D 115.1(12) . . ?
C14D N9D Pd2 119.4(10) . 2_665 ?
C10D N9D Pd2 125.6(9) . 2_665 ?
C11D C10D N9D 124.4(13) . . ?
C11D C10D H10D 117.8 . . ?
N9D C10D H10D 117.8 . . ?
C10D C11D C12D 116.3(15) . . ?
C10D C11D H11D 121.8 . . ?
C12D C11D H11D 121.8 . . ?
C11D C12D C13D 123.7(14) . . ?
C11D C12D H12D 118.2 . . ?
C13D C12D H12D 118.2 . . ?
C12D C13D C14D 113.0(13) . . ?
C12D C13D Si1D 122.5(11) . . ?
C14D C13D Si1D 123.9(11) . . ?
N9D C14D C13D 126.1(13) . . ?
N9D C14D H14D 116.9 . . ?
C13D C14D H14D 116.9 . . ?
C20D C15D C16D 108.2(10) . . ?
C20D C15D Si1D 110.4(9) . . ?
C16D C15D Si1D 111.3(10) . . ?
C20D C15D H15D 109.0 . . ?
C16D C15D H15D 109.0 . . ?
Si1D C15D H15D 109.0 . . ?
C17D C16D C15D 109.2(12) . . ?
C17D C16D H16G 109.8 . . ?
C15D C16D H16G 109.8 . . ?
C17D C16D H16H 109.8 . . ?
C15D C16D H16H 109.8 . . ?
H16G C16D H16H 108.3 . . ?
C18D C17D C16D 112.7(12) . . ?
C18D C17D H17G 109.0 . . ?
C16D C17D H17G 109.0 . . ?
C18D C17D H17H 109.0 . . ?
C16D C17D H17H 109.0 . . ?
H17G C17D H17H 107.8 . . ?
C17D C18D C19D 111.2(12) . . ?
C17D C18D H18G 109.4 . . ?
C19D C18D H18G 109.4 . . ?
C17D C18D H18H 109.4 . . ?
C19D C18D H18H 109.4 . . ?
H18G C18D H18H 108.0 . . ?
C18D C19D C20D 107.6(12) . . ?
C18D C19D H19G 110.2 . . ?
C20D C19D H19G 110.2 . . ?
C18D C19D H19H 110.2 . . ?
C20D C19D H19H 110.2 . . ?
H19G C19D H19H 108.5 . . ?
C15D C20D C19D 110.0(11) . . ?
C15D C20D H20G 109.7 . . ?
C19D C20D H20G 109.7 . . ?
C15D C20D H20H 109.7 . . ?
C19D C20D H20H 109.7 . . ?
H20G C20D H20H 108.2 . . ?
C15E Si1E C6E 108.9(7) . . ?
C15E Si1E C13E 107.3(7) . . ?
C6E Si1E C13E 113.3(7) . . ?
C15E Si1E C8E 110.9(7) . . ?
C6E Si1E C8E 110.6(7) . . ?
C13E Si1E C8E 105.8(7) . . ?
C7E N2E C3E 116.3(12) . . ?
C7E N2E Pd3 122.6(9) . . ?
C3E N2E Pd3 120.1(10) . . ?
C4E C3E N2E 121.7(15) . . ?
C4E C3E H3E 119.2 . . ?
N2E C3E H3E 119.2 . . ?
C3E C4E C5E 119.8(14) . . ?
C3E C4E H4E 120.1 . . ?
C5E C4E H4E 120.1 . . ?
C6E C5E C4E 121.2(15) . . ?
C6E C5E H5E 119.4 . . ?
C4E C5E H5E 119.4 . . ?
C5E C6E C7E 116.2(15) . . ?
C5E C6E Si1E 121.8(12) . . ?
C7E C6E Si1E 122.0(11) . . ?
N2E C7E C6E 124.6(14) . . ?
N2E C7E H7E 117.7 . . ?
C6E C7E H7E 117.7 . . ?
Si1E C8E H8EA 109.5 . . ?
Si1E C8E H8EB 109.5 . . ?
H8EA C8E H8EB 109.5 . . ?
Si1E C8E H8EC 109.5 . . ?
H8EA C8E H8EC 109.5 . . ?
H8EB C8E H8EC 109.5 . . ?
C10E N9E C14E 116.3(12) . . ?
C10E N9E Pd4 125.5(9) . . ?
C14E N9E Pd4 118.2(9) . . ?
N9E C10E C11E 126.2(14) . . ?
N9E C10E H10E 116.9 . . ?
C11E C10E H10E 116.9 . . ?
C12E C11E C10E 117.6(15) . . ?
C12E C11E H11E 121.2 . . ?
C10E C11E H11E 121.2 . . ?
C11E C12E C13E 117.8(14) . . ?
C11E C12E H12E 121.1 . . ?
C13E C12E H12E 121.1 . . ?
C14E C13E C12E 120.3(14) . . ?
C14E C13E Si1E 118.3(12) . . ?
C12E C13E Si1E 120.1(11) . . ?
C13E C14E N9E 120.9(14) . . ?
C13E C14E H14E 119.6 . . ?
N9E C14E H14E 119.6 . . ?
C20E C15E C16E 110.9(12) . . ?
C20E C15E Si1E 109.6(11) . . ?
C16E C15E Si1E 110.3(10) . . ?
C20E C15E H15E 108.7 . . ?
C16E C15E H15E 108.7 . . ?
Si1E C15E H15E 108.7 . . ?
C17E C16E C15E 107.9(12) . . ?
C17E C16E H16I 110.1 . . ?
C15E C16E H16I 110.1 . . ?
C17E C16E H16J 110.1 . . ?
C15E C16E H16J 110.1 . . ?
H16I C16E H16J 108.4 . . ?
C18E C17E C16E 108.1(15) . . ?
C18E C17E H17I 110.1 . . ?
C16E C17E H17I 110.1 . . ?
C18E C17E H17J 110.1 . . ?
C16E C17E H17J 110.1 . . ?
H17I C17E H17J 108.4 . . ?
C17E C18E C19E 110.1(13) . . ?
C17E C18E H18I 109.6 . . ?
C19E C18E H18I 109.6 . . ?
C17E C18E H18J 109.6 . . ?
C19E C18E H18J 109.6 . . ?
H18I C18E H18J 108.2 . . ?
C18E C19E C20E 110.3(13) . . ?
C18E C19E H19I 109.6 . . ?
C20E C19E H19I 109.6 . . ?
C18E C19E H19J 109.6 . . ?
C20E C19E H19J 109.6 . . ?
H19I C19E H19J 108.1 . . ?
C15E C20E C19E 110.3(12) . . ?
C15E C20E H20I 109.6 . . ?
C19E C20E H20I 109.6 . . ?
C15E C20E H20J 109.6 . . ?
C19E C20E H20J 109.6 . . ?
H20I C20E H20J 108.1 . . ?
C8F Si1F C13F 106.2(8) . . ?
C8F Si1F C15F 114.3(8) . . ?
C13F Si1F C15F 110.2(7) . . ?
C8F Si1F C6F 107.3(8) . . ?
C13F Si1F C6F 108.8(7) . . ?
C15F Si1F C6F 109.9(7) . . ?
C7F N2F C3F 114.2(13) . . ?
C7F N2F Pd3 124.8(10) . . ?
C3F N2F Pd3 120.5(10) . . ?
N2F C3F C4F 119.4(14) . . ?
N2F C3F H3F 120.3 . . ?
C4F C3F H3F 120.3 . . ?
C5F C4F C3F 119.3(16) . . ?
C5F C4F H4F 120.3 . . ?
C3F C4F H4F 120.3 . . ?
C6F C5F C4F 121.3(17) . . ?
C6F C5F H5F 119.3 . . ?
C4F C5F H5F 119.3 . . ?
C5F C6F C7F 116.2(16) . . ?
C5F C6F Si1F 122.9(14) . . ?
C7F C6F Si1F 120.6(13) . . ?
N2F C7F C6F 128.7(15) . . ?
N2F C7F H7F 115.6 . . ?
C6F C7F H7F 115.6 . . ?
Si1F C8F H8FA 109.5 . . ?
Si1F C8F H8FB 109.5 . . ?
H8FA C8F H8FB 109.5 . . ?
Si1F C8F H8FC 109.5 . . ?
H8FA C8F H8FC 109.5 . . ?
H8FB C8F H8FC 109.5 . . ?
C10F N9F C14F 116.1(12) . . ?
C10F N9F Pd4 121.4(11) . . ?
C14F N9F Pd4 122.4(9) . . ?
N9F C10F C11F 122.5(15) . . ?
N9F C10F H10F 118.8 . . ?
C11F C10F H10F 118.8 . . ?
C12F C11F C10F 118.6(15) . . ?
C12F C11F H11F 120.7 . . ?
C10F C11F H11F 120.7 . . ?
C11F C12F C13F 122.2(15) . . ?
C11F C12F H12F 118.9 . . ?
C13F C12F H12F 118.9 . . ?
C14F C13F C12F 112.4(14) . . ?
C14F C13F Si1F 123.6(11) . . ?
C12F C13F Si1F 122.7(12) . . ?
N9F C14F C13F 126.8(13) . . ?
N9F C14F H14F 116.6 . . ?
C13F C14F H14F 116.6 . . ?
C16F C15F C20F 108.4(11) . . ?
C16F C15F Si1F 113.4(11) . . ?
C20F C15F Si1F 112.6(11) . . ?
C16F C15F H15F 107.4 . . ?
C20F C15F H15F 107.4 . . ?
Si1F C15F H15F 107.4 . . ?
C15F C16F C17F 116.0(12) . . ?
C15F C16F H16K 108.3 . . ?
C17F C16F H16K 108.3 . . ?
C15F C16F H16L 108.3 . . ?
C17F C16F H16L 108.3 . . ?
H16K C16F H16L 107.4 . . ?
C18F C17F C16F 114.2(13) . . ?
C18F C17F H17K 108.7 . . ?
C16F C17F H17K 108.7 . . ?
C18F C17F H17L 108.7 . . ?
C16F C17F H17L 108.7 . . ?
H17K C17F H17L 107.6 . . ?
C17F C18F C19F 114.1(13) . . ?
C17F C18F H18K 108.7 . . ?
C19F C18F H18K 108.7 . . ?
C17F C18F H18L 108.7 . . ?
C19F C18F H18L 108.7 . . ?
H18K C18F H18L 107.6 . . ?
C18F C19F C20F 109.5(13) . . ?
C18F C19F H19K 109.8 . . ?
C20F C19F H19K 109.8 . . ?
C18F C19F H19L 109.8 . . ?
C20F C19F H19L 109.8 . . ?
H19K C19F H19L 108.2 . . ?
C15F C20F C19F 111.5(13) . . ?
C15F C20F H20K 109.3 . . ?
C19F C20F H20K 109.3 . . ?
C15F C20F H20L 109.3 . . ?
C19F C20F H20L 109.3 . . ?
H20K C20F H20L 108.0 . . ?
C6G Si1G C15G 111.7(6) . . ?
C6G Si1G C8G 108.9(7) . . ?
C15G Si1G C8G 114.5(7) . . ?
C6G Si1G C13G 108.6(7) . . ?
C15G Si1G C13G 106.6(6) . . ?
C8G Si1G C13G 106.2(6) . . ?
C7G N2G C3G 124.0(14) . . ?
C7G N2G Pd3 119.5(10) . . ?
C3G N2G Pd3 116.4(10) . . ?
C4G C3G N2G 119.9(15) . . ?
C4G C3G H3G 120.0 . . ?
N2G C3G H3G 120.0 . . ?
C3G C4G C5G 121.8(14) . . ?
C3G C4G H4G 119.1 . . ?
C5G C4G H4G 119.1 . . ?
C4G C5G C6G 115.9(14) . . ?
C4G C5G H5G 122.0 . . ?
C6G C5G H5G 122.0 . . ?
C7G C6G C5G 114.1(13) . . ?
C7G C6G Si1G 119.9(10) . . ?
C5G C6G Si1G 124.3(11) . . ?
N2G C7G C6G 123.4(13) . . ?
N2G C7G H7G 118.3 . . ?
C6G C7G H7G 118.3 . . ?
Si1G C8G H8GA 109.5 . . ?
Si1G C8G H8GB 109.5 . . ?
H8GA C8G H8GB 109.5 . . ?
Si1G C8G H8GC 109.5 . . ?
H8GA C8G H8GC 109.5 . . ?
H8GB C8G H8GC 109.5 . . ?
C10G N9G C14G 117.0(13) . . ?
C10G N9G Pd3 123.9(11) . 2_655 ?
C14G N9G Pd3 118.9(9) . 2_655 ?
N9G C10G C11G 125.3(14) . . ?
N9G C10G H10G 117.4 . . ?
C11G C10G H10G 117.4 . . ?
C12G C11G C10G 116.0(14) . . ?
C12G C11G H11G 122.0 . . ?
C10G C11G H11G 122.0 . . ?
C11G C12G C13G 120.6(14) . . ?
C11G C12G H12G 119.7 . . ?
C13G C12G H12G 119.7 . . ?
C14G C13G C12G 116.5(13) . . ?
C14G C13G Si1G 123.6(11) . . ?
C12G C13G Si1G 119.6(11) . . ?
C13G C14G N9G 124.6(13) . . ?
C13G C14G H14G 117.7 . . ?
N9G C14G H14G 117.7 . . ?
C20G C15G C16G 110.8(12) . . ?
C20G C15G Si1G 111.9(9) . . ?
C16G C15G Si1G 112.5(10) . . ?
C20G C15G H15G 107.1 . . ?
C16G C15G H15G 107.1 . . ?
Si1G C15G H15G 107.1 . . ?
C15G C16G C17G 111.5(11) . . ?
C15G C16G H16M 109.3 . . ?
C17G C16G H16M 109.3 . . ?
C15G C16G H16N 109.3 . . ?
C17G C16G H16N 109.3 . . ?
H16M C16G H16N 108.0 . . ?
C18G C17G C16G 112.5(12) . . ?
C18G C17G H17M 109.1 . . ?
C16G C17G H17M 109.1 . . ?
C18G C17G H17N 109.1 . . ?
C16G C17G H17N 109.1 . . ?
H17M C17G H17N 107.8 . . ?
C17G C18G C19G 112.4(14) . . ?
C17G C18G H18M 109.1 . . ?
C19G C18G H18M 109.1 . . ?
C17G C18G H18N 109.1 . . ?
C19G C18G H18N 109.1 . . ?
H18M C18G H18N 107.9 . . ?
C18G C19G C20G 107.2(12) . . ?
C18G C19G H19M 110.3 . . ?
C20G C19G H19M 110.3 . . ?
C18G C19G H19N 110.3 . . ?
C20G C19G H19N 110.3 . . ?
H19M C19G H19N 108.5 . . ?
C15G C20G C19G 113.8(12) . . ?
C15G C20G H20M 108.8 . . ?
C19G C20G H20M 108.8 . . ?
C15G C20G H20N 108.8 . . ?
C19G C20G H20N 108.8 . . ?
H20M C20G H20N 107.7 . . ?
C8H Si1H C15H 112.1(7) . . ?
C8H Si1H C6H 111.3(7) . . ?
C15H Si1H C6H 112.3(7) . . ?
C8H Si1H C13H 108.0(6) . . ?
C15H Si1H C13H 108.6(6) . . ?
C6H Si1H C13H 104.1(6) . . ?
C3H N2H C7H 119.8(12) . . ?
C3H N2H Pd4 118.3(10) . . ?
C7H N2H Pd4 121.4(9) . . ?
N2H C3H C4H 116.7(13) . . ?
N2H C3H H3H 121.6 . . ?
C4H C3H H3H 121.6 . . ?
C5H C4H C3H 121.6(14) . . ?
C5H C4H H4H 119.2 . . ?
C3H C4H H4H 119.2 . . ?
C4H C5H C6H 122.4(15) . . ?
C4H C5H H5H 118.8 . . ?
C6H C5H H5H 118.8 . . ?
C7H C6H C5H 113.9(13) . . ?
C7H C6H Si1H 120.7(10) . . ?
C5H C6H Si1H 125.2(11) . . ?
C6H C7H N2H 125.3(13) . . ?
C6H C7H H7H 117.4 . . ?
N2H C7H H7H 117.4 . . ?
Si1H C8H H8HA 109.5 . . ?
Si1H C8H H8HB 109.5 . . ?
H8HA C8H H8HB 109.5 . . ?
Si1H C8H H8HC 109.5 . . ?
H8HA C8H H8HC 109.5 . . ?
H8HB C8H H8HC 109.5 . . ?
C14H N9H C10H 117.8(12) . . ?
C14H N9H Pd4 119.2(9) . 2_655 ?
C10H N9H Pd4 123.0(9) . 2_655 ?
N9H C10H C11H 123.5(13) . . ?
N9H C10H H10H 118.3 . . ?
C11H C10H H10H 118.3 . . ?
C12H C11H C10H 118.5(13) . . ?
C12H C11H H11H 120.8 . . ?
C10H C11H H11H 120.8 . . ?
C11H C12H C13H 118.6(13) . . ?
C11H C12H H12H 120.7 . . ?
C13H C12H H12H 120.7 . . ?
C14H C13H C12H 119.4(12) . . ?
C14H C13H Si1H 121.1(10) . . ?
C12H C13H Si1H 119.4(10) . . ?
N9H C14H C13H 122.2(13) . . ?
N9H C14H H14H 118.9 . . ?
C13H C14H H14H 118.9 . . ?
C20H C15H C16H 112.8(13) . . ?
C20H C15H Si1H 112.3(10) . . ?
C16H C15H Si1H 113.9(10) . . ?
C20H C15H H15H 105.7 . . ?
C16H C15H H15H 105.7 . . ?
Si1H C15H H15H 105.7 . . ?
C17H C16H C15H 115.8(13) . . ?
C17H C16H H16O 108.3 . . ?
C15H C16H H16O 108.3 . . ?
C17H C16H H16P 108.3 . . ?
C15H C16H H16P 108.3 . . ?
H16O C16H H16P 107.4 . . ?
C18H C17H C16H 110.7(13) . . ?
C18H C17H H17O 109.5 . . ?
C16H C17H H17O 109.5 . . ?
C18H C17H H17P 109.5 . . ?
C16H C17H H17P 109.5 . . ?
H17O C17H H17P 108.1 . . ?
C17H C18H C19H 114.2(15) . . ?
C17H C18H H18O 108.7 . . ?
C19H C18H H18O 108.7 . . ?
C17H C18H H18P 108.7 . . ?
C19H C18H H18P 108.7 . . ?
H18O C18H H18P 107.6 . . ?
C18H C19H C20H 112.4(13) . . ?
C18H C19H H19O 109.1 . . ?
C20H C19H H19O 109.1 . . ?
C18H C19H H19P 109.1 . . ?
C20H C19H H19P 109.1 . . ?
H19O C19H H19P 107.8 . . ?
C15H C20H C19H 113.4(12) . . ?
C15H C20H H20O 108.9 . . ?
C19H C20H H20O 108.9 . . ?
C15H C20H H20P 108.9 . . ?
C19H C20H H20P 108.9 . . ?
H20O C20H H20P 107.7 . . ?
O4N N1N O2N 119.1(15) . . ?
O4N N1N O3N 115.9(15) . . ?
O2N N1N O3N 115.3(14) . . ?
O7N N5N O6N 137(2) . . ?
O7N N5N O8N 103(2) . . ?
O6N N5N O8N 120(2) . . ?
O24 N6 O25 119.7(15) . . ?
O24 N6 O23 120.0(15) . . ?
O25 N6 O23 119.4(15) . . ?
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
N7 O10 1.243(13) . ?
N7 O9 1.247(13) . ?
N7 O8 1.250(13) . ?
N10 O18 1.227(12) . ?
N10 O17 1.237(12) . ?
N10 O19 1.243(12) . ?
N8 O21 1.230(12) . ?
N8 O22 1.232(13) . ?
N8 O20 1.242(12) . ?
N1 O2 1.279(12) . ?
N1 O3 1.306(12) . ?
N1 O1 1.351(12) . ?
N2 O12 1.231(10) . ?
N2 O11 1.252(10) . ?
N2 O13 1.279(10) . ?
N4 O15 1.211(10) . ?
N4 O16 1.239(11) . ?
N4 O14 1.270(11) . ?
Pd1 N2C 2.001(13) . ?
Pd1 N2A 2.030(11) . ?
Pd1 N2B 2.034(12) . ?
Pd1 N9C 2.037(12) 2_665 ?
Pd2 N9D 1.994(11) 2_665 ?
Pd2 N9A 2.013(11) . ?
Pd2 N9B 2.042(10) . ?
Pd2 N2D 2.067(10) . ?
Pd3 N2E 2.012(12) . ?
Pd3 N9G 2.013(12) 2_655 ?
Pd3 N2G 2.038(12) . ?
Pd3 N2F 2.043(12) . ?
N3 O7 1.224(6) 2_665 ?
N3 O7 1.224(6) . ?
N3 O5 1.262(10) . ?
Pd4 N9E 1.989(11) . ?
Pd4 N9H 1.995(11) 2_655 ?
Pd4 N9F 2.019(11) . ?
Pd4 N2H 2.055(11) . ?
O4 N5 1.217(6) . ?
Si1A C13A 1.851(15) . ?
Si1A C8A 1.864(13) . ?
Si1A C4A 1.886(13) . ?
Si1A C15A 1.897(15) . ?
N2A C3A 1.327(15) . ?
N2A C7A 1.375(15) . ?
C3A C4A 1.484(18) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.338(16) . ?
C5A C6A 1.410(18) . ?
C5A H5A 0.9500 . ?
C6A C7A 1.430(18) . ?
C6A H6A 0.9500 . ?
C7A H7A 0.9500 . ?
C8A H8AA 0.9800 . ?
C8A H8AB 0.9800 . ?
C8A H8AC 0.9800 . ?
N9A C10A 1.268(15) . ?
N9A C14A 1.333(16) . ?
C10A C11A 1.454(18) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.409(19) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.419(18) . ?
C12A H12A 0.9500 . ?
C13A C14A 1.444(18) . ?
C14A H14A 0.9500 . ?
C15A C16A 1.44(2) . ?
C15A C20A 1.64(2) . ?
C15A H15A 1.0000 . ?
C16A C17A 1.54(2) . ?
C16A H16A 0.9900 . ?
C16A H16B 0.9900 . ?
C17A C18A 1.484(12) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A C19A 1.491(13) . ?
C18A H18A 0.9900 . ?
C18A H18B 0.9900 . ?
C19A C20A 1.60(2) . ?
C19A H19A 0.9900 . ?
C19A H19B 0.9900 . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
Si1B C15B 1.818(14) . ?
Si1B C6B 1.821(15) . ?
Si1B C8B 1.866(14) . ?
Si1B C13B 1.879(14) . ?
N2B C7B 1.324(16) . ?
N2B C3B 1.433(17) . ?
C3B C4B 1.289(19) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.47(2) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.527(18) . ?
C5B H5B 0.9500 . ?
C6B C7B 1.371(18) . ?
C7B H7B 0.9500 . ?
C8B H8BA 0.9800 . ?
C8B H8BB 0.9800 . ?
C8B H8BC 0.9800 . ?
N9B C14B 1.315(15) . ?
N9B C10B 1.379(16) . ?
C10B C11B 1.292(17) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.333(18) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.401(19) . ?
C12B H12B 0.9500 . ?
C13B C14B 1.378(17) . ?
C14B H14B 0.9500 . ?
C15B C20B 1.496(15) . ?
C15B C16B 1.537(15) . ?
C15B H15B 1.0000 . ?
C16B C17B 1.491(16) . ?
C16B H16C 0.9900 . ?
C16B H16D 0.9900 . ?
C17B C18B 1.412(16) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C18B C19B 1.535(17) . ?
C18B H18C 0.9900 . ?
C18B H18D 0.9900 . ?
C19B C20B 1.576(15) . ?
C19B H19C 0.9900 . ?
C19B H19D 0.9900 . ?
C20B H20C 0.9900 . ?
C20B H20D 0.9900 . ?
Si1C C15C 1.809(18) . ?
Si1C C13C 1.837(16) . ?
Si1C C6C 1.844(17) . ?
Si1C C8C 1.913(17) . ?
N2C C3C 1.362(17) . ?
N2C C7C 1.456(18) . ?
C3C C4C 1.38(2) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.47(2) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.39(2) . ?
C5C H5C 0.9500 . ?
N5 O6 1.250(10) . ?
C6C C7C 1.42(2) . ?
C7C H7C 0.9500 . ?
C8C H8CA 0.9800 . ?
C8C H8CB 0.9800 . ?
C8C H8CC 0.9800 . ?
N9C C14C 1.295(16) . ?
N9C C10C 1.346(17) . ?
C10C C11C 1.46(2) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.361(19) . ?
C11C H11C 0.9500 . ?
C12C C13C 1.415(19) . ?
C12C H12C 0.9500 . ?
C13C C14C 1.453(19) . ?
C14C H14C 0.9500 . ?
C15C C16C 1.524(11) . ?
C15C C20C 1.531(18) . ?
C15C H15C 1.0000 . ?
C16C C17C 1.496(11) . ?
C16C H16E 0.9900 . ?
C16C H16F 0.9900 . ?
C17C C18C 1.444(18) . ?
C17C H17E 0.9900 . ?
C17C H17F 0.9900 . ?
C18C C19C 1.543(19) . ?
C18C H18E 0.9900 . ?
C18C H18F 0.9900 . ?
C19C C20C 1.603(18) . ?
C19C H19E 0.9900 . ?
C19C H19F 0.9900 . ?
C20C H20E 0.9900 . ?
C20C H20F 0.9900 . ?
Si1D C15D 1.843(14) . ?
Si1D C8D 1.862(14) . ?
Si1D C6D 1.873(14) . ?
Si1D C13D 1.942(14) . ?
N2D C3D 1.289(14) . ?
N2D C7D 1.323(15) . ?
C3D C4D 1.380(17) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.291(17) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.420(17) . ?
C5D H5D 0.9500 . ?
C6D C7D 1.362(17) . ?
C7D H7D 0.9500 . ?
C8D H8DA 0.9800 . ?
C8D H8DB 0.9800 . ?
C8D H8DC 0.9800 . ?
N9D C14D 1.303(15) . ?
N9D C10D 1.340(16) . ?
C10D C11D 1.333(18) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.340(19) . ?
C11D H11D 0.9500 . ?
C12D C13D 1.345(19) . ?
C12D H12D 0.9500 . ?
C13D C14D 1.391(18) . ?
C14D H14D 0.9500 . ?
C15D C20D 1.497(14) . ?
C15D C16D 1.566(15) . ?
C15D H15D 1.0000 . ?
C16D C17D 1.543(16) . ?
C16D H16G 0.9900 . ?
C16D H16H 0.9900 . ?
C17D C18D 1.451(15) . ?
C17D H17G 0.9900 . ?
C17D H17H 0.9900 . ?
C18D C19D 1.512(16) . ?
C18D H18G 0.9900 . ?
C18D H18H 0.9900 . ?
C19D C20D 1.604(16) . ?
C19D H19G 0.9900 . ?
C19D H19H 0.9900 . ?
C20D H20G 0.9900 . ?
C20D H20H 0.9900 . ?
Si1E C15E 1.820(16) . ?
Si1E C6E 1.849(17) . ?
Si1E C13E 1.917(16) . ?
Si1E C8E 1.924(15) . ?
N2E C7E 1.358(17) . ?
N2E C3E 1.401(16) . ?
C3E C4E 1.332(19) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.40(2) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.370(19) . ?
C5E H5E 0.9500 . ?
C6E C7E 1.38(2) . ?
C7E H7E 0.9500 . ?
C8E H8EA 0.9800 . ?
C8E H8EB 0.9800 . ?
C8E H8EC 0.9800 . ?
N9E C10E 1.348(15) . ?
N9E C14E 1.435(17) . ?
C10E C11E 1.406(19) . ?
C10E H10E 0.9500 . ?
C11E C12E 1.40(2) . ?
C11E H11E 0.9500 . ?
C12E C13E 1.46(2) . ?
C12E H12E 0.9500 . ?
C13E C14E 1.373(18) . ?
C14E H14E 0.9500 . ?
C15E C20E 1.521(16) . ?
C15E C16E 1.565(15) . ?
C15E H15E 1.0000 . ?
C16E C17E 1.561(16) . ?
C16E H16I 0.9900 . ?
C16E H16J 0.9900 . ?
C17E C18E 1.451(17) . ?
C17E H17I 0.9900 . ?
C17E H17J 0.9900 . ?
C18E C19E 1.533(16) . ?
C18E H18I 0.9900 . ?
C18E H18J 0.9900 . ?
C19E C20E 1.614(17) . ?
C19E H19I 0.9900 . ?
C19E H19J 0.9900 . ?
C20E H20I 0.9900 . ?
C20E H20J 0.9900 . ?
Si1F C8F 1.782(17) . ?
Si1F C13F 1.861(17) . ?
Si1F C15F 1.878(16) . ?
Si1F C6F 1.922(16) . ?
N2F C7F 1.326(16) . ?
N2F C3F 1.353(16) . ?
C3F C4F 1.398(19) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.37(2) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.28(2) . ?
C5F H5F 0.9500 . ?
C6F C7F 1.327(19) . ?
C7F H7F 0.9500 . ?
C8F H8FA 0.9800 . ?
C8F H8FB 0.9800 . ?
C8F H8FC 0.9800 . ?
N9F C10F 1.313(16) . ?
N9F C14F 1.331(17) . ?
C10F C11F 1.39(2) . ?
C10F H10F 0.9500 . ?
C11F C12F 1.33(2) . ?
C11F H11F 0.9500 . ?
C12F C13F 1.401(19) . ?
C12F H12F 0.9500 . ?
C13F C14F 1.384(19) . ?
C14F H14F 0.9500 . ?
C15F C16F 1.506(15) . ?
C15F C20F 1.577(16) . ?
C15F H15F 1.0000 . ?
C16F C17F 1.538(16) . ?
C16F H16K 0.9900 . ?
C16F H16L 0.9900 . ?
C17F C18F 1.441(16) . ?
C17F H17K 0.9900 . ?
C17F H17L 0.9900 . ?
C18F C19F 1.545(16) . ?
C18F H18K 0.9900 . ?
C18F H18L 0.9900 . ?
C19F C20F 1.600(17) . ?
C19F H19K 0.9900 . ?
C19F H19L 0.9900 . ?
C20F H20K 0.9900 . ?
C20F H20L 0.9900 . ?
Si1G C6G 1.796(15) . ?
Si1G C15G 1.823(14) . ?
Si1G C8G 1.838(13) . ?
Si1G C13G 1.875(14) . ?
N2G C7G 1.275(16) . ?
N2G C3G 1.359(17) . ?
C3G C4G 1.35(2) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.476(17) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.486(19) . ?
C5G H5G 0.9500 . ?
C6G C7G 1.479(19) . ?
C7G H7G 0.9500 . ?
C8G H8GA 0.9800 . ?
C8G H8GB 0.9800 . ?
C8G H8GC 0.9800 . ?
N9G C10G 1.248(15) . ?
N9G C14G 1.388(16) . ?
C10G C11G 1.420(19) . ?
C10G H10G 0.9500 . ?
C11G C12G 1.376(18) . ?
C11G H11G 0.9500 . ?
C12G C13G 1.403(19) . ?
C12G H12G 0.9500 . ?
C13G C14G 1.338(17) . ?
C14G H14G 0.9500 . ?
C15G C20G 1.473(15) . ?
C15G C16G 1.540(15) . ?
C15G H15G 1.0000 . ?
C16G C17G 1.548(15) . ?
C16G H16M 0.9900 . ?
C16G H16N 0.9900 . ?
C17G C18G 1.433(15) . ?
C17G H17M 0.9900 . ?
C17G H17N 0.9900 . ?
C18G C19G 1.527(16) . ?
C18G H18M 0.9900 . ?
C18G H18N 0.9900 . ?
C19G C20G 1.587(16) . ?
C19G H19M 0.9900 . ?
C19G H19N 0.9900 . ?
C20G H20M 0.9900 . ?
C20G H20N 0.9900 . ?
Si1H C8H 1.843(14) . ?
Si1H C15H 1.861(14) . ?
Si1H C6H 1.870(15) . ?
Si1H C13H 1.907(13) . ?
N2H C3H 1.331(16) . ?
N2H C7H 1.354(16) . ?
C3H C4H 1.427(19) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.246(17) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.443(17) . ?
C5H H5H 0.9500 . ?
C6H C7H 1.306(17) . ?
C7H H7H 0.9500 . ?
C8H H8HA 0.9800 . ?
C8H H8HB 0.9800 . ?
C8H H8HC 0.9800 . ?
N9H C14H 1.340(15) . ?
N9H C10H 1.372(16) . ?
C10H C11H 1.401(18) . ?
C10H H10H 0.9500 . ?
C11H C12H 1.376(18) . ?
C11H H11H 0.9500 . ?
C12H C13H 1.425(17) . ?
C12H H12H 0.9500 . ?
C13H C14H 1.398(17) . ?
C14H H14H 0.9500 . ?
C15H C20H 1.483(16) . ?
C15H C16H 1.531(15) . ?
C15H H15H 1.0000 . ?
C16H C17H 1.521(15) . ?
C16H H16O 0.9900 . ?
C16H H16P 0.9900 . ?
C17H C18H 1.456(16) . ?
C17H H17O 0.9900 . ?
C17H H17P 0.9900 . ?
C18H C19H 1.510(17) . ?
C18H H18O 0.9900 . ?
C18H H18P 0.9900 . ?
C19H C20H 1.576(16) . ?
C19H H19O 0.9900 . ?
C19H H19P 0.9900 . ?
C20H H20O 0.9900 . ?
C20H H20P 0.9900 . ?
N1N O4N 1.222(12) . ?
N1N O2N 1.241(12) . ?
N1N O3N 1.277(12) . ?
N5N O7N 1.21(2) . ?
N5N O6N 1.26(2) . ?
N5N O8N 1.31(2) . ?
N6 O24 1.225(13) . ?
N6 O25 1.242(13) . ?
N6 O23 1.243(13) . ?
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
C7A N2A C3A C4A 8.3(19) . . . . ?
Pd1 N2A C3A C4A -178.5(9) . . . . ?
N2A C3A C4A C5A -9.0(18) . . . . ?
N2A C3A C4A Si1A -175.1(9) . . . . ?
C13A Si1A C4A C5A 43.5(13) . . . . ?
C8A Si1A C4A C5A 161.2(12) . . . . ?
C15A Si1A C4A C5A -72.7(14) . . . . ?
C13A Si1A C4A C3A -152.1(10) . . . . ?
C8A Si1A C4A C3A -34.4(11) . . . . ?
C15A Si1A C4A C3A 91.6(11) . . . . ?
C3A C4A C5A C6A 7(2) . . . . ?
Si1A C4A C5A C6A 172.2(11) . . . . ?
C4A C5A C6A C7A -5(2) . . . . ?
C3A N2A C7A C6A -5(2) . . . . ?
Pd1 N2A C7A C6A -178.1(9) . . . . ?
C5A C6A C7A N2A 2.8(19) . . . . ?
C14A N9A C10A C11A -0.7(18) . . . . ?
Pd2 N9A C10A C11A -175.8(9) . . . . ?
N9A C10A C11A C12A 3(2) . . . . ?
C10A C11A C12A C13A -3(2) . . . . ?
C11A C12A C13A C14A 0.2(19) . . . . ?
C11A C12A C13A Si1A 178.1(10) . . . . ?
C8A Si1A C13A C12A 130.9(12) . . . . ?
C4A Si1A C13A C12A -112.7(12) . . . . ?
C15A Si1A C13A C12A 3.4(14) . . . . ?
C8A Si1A C13A C14A -51.4(12) . . . . ?
C4A Si1A C13A C14A 65.1(11) . . . . ?
C15A Si1A C13A C14A -178.8(11) . . . . ?
C10A N9A C14A C13A -2(2) . . . . ?
Pd2 N9A C14A C13A 173.2(10) . . . . ?
C12A C13A C14A N9A 2(2) . . . . ?
Si1A C13A C14A N9A -175.8(10) . . . . ?
C13A Si1A C15A C16A 76.6(14) . . . . ?
C8A Si1A C15A C16A -48.9(15) . . . . ?
C4A Si1A C15A C16A -171.8(12) . . . . ?
C13A Si1A C15A C20A -169.7(11) . . . . ?
C8A Si1A C15A C20A 64.9(13) . . . . ?
C4A Si1A C15A C20A -58.0(13) . . . . ?
C20A C15A C16A C17A 64.4(19) . . . . ?
Si1A C15A C16A C17A -179.2(12) . . . . ?
C15A C16A C17A C18A -55(2) . . . . ?
C16A C17A C18A C19A 53(2) . . . . ?
C17A C18A C19A C20A -63(2) . . . . ?
C18A C19A C20A C15A 68.6(19) . . . . ?
C16A C15A C20A C19A -71.6(17) . . . . ?
Si1A C15A C20A C19A 168.0(11) . . . . ?
C7B N2B C3B C4B 6(2) . . . . ?
Pd1 N2B C3B C4B -163.9(12) . . . . ?
N2B C3B C4B C5B -7(2) . . . . ?
C3B C4B C5B C6B 3(2) . . . . ?
C4B C5B C6B C7B 1.0(18) . . . . ?
C4B C5B C6B Si1B 178.2(11) . . . . ?
C15B Si1B C6B C7B -179.9(11) . . . . ?
C8B Si1B C6B C7B -54.7(13) . . . . ?
C13B Si1B C6B C7B 63.1(13) . . . . ?
C15B Si1B C6B C5B 3.2(13) . . . . ?
C8B Si1B C6B C5B 128.3(11) . . . . ?
C13B Si1B C6B C5B -113.8(11) . . . . ?
C3B N2B C7B C6B -2(2) . . . . ?
Pd1 N2B C7B C6B 167.8(11) . . . . ?
C5B C6B C7B N2B -1(2) . . . . ?
Si1B C6B C7B N2B -178.5(11) . . . . ?
C14B N9B C10B C11B 5.8(19) . . . . ?
Pd2 N9B C10B C11B -176.2(11) . . . . ?
N9B C10B C11B C12B -6(2) . . . . ?
C10B C11B C12B C13B 3(2) . . . . ?
C11B C12B C13B C14B 1(2) . . . . ?
C11B C12B C13B Si1B 173.1(12) . . . . ?
C15B Si1B C13B C14B 98.1(12) . . . . ?
C6B Si1B C13B C14B -141.3(11) . . . . ?
C8B Si1B C13B C14B -22.7(14) . . . . ?
C15B Si1B C13B C12B -73.0(14) . . . . ?
C6B Si1B C13B C12B 47.6(14) . . . . ?
C8B Si1B C13B C12B 166.2(12) . . . . ?
C10B N9B C14B C13B -1.8(18) . . . . ?
Pd2 N9B C14B C13B -179.9(10) . . . . ?
C12B C13B C14B N9B -1.5(19) . . . . ?
Si1B C13B C14B N9B -173.4(10) . . . . ?
C6B Si1B C15B C20B 65.7(14) . . . . ?
C8B Si1B C15B C20B -58.4(14) . . . . ?
C13B Si1B C15B C20B -177.3(12) . . . . ?
C6B Si1B C15B C16B -162.9(11) . . . . ?
C8B Si1B C15B C16B 73.0(13) . . . . ?
C13B Si1B C15B C16B -45.9(14) . . . . ?
C20B C15B C16B C17B -48(2) . . . . ?
Si1B C15B C16B C17B 177.4(13) . . . . ?
C15B C16B C17B C18B 51(2) . . . . ?
C16B C17B C18B C19B -55(2) . . . . ?
C17B C18B C19B C20B 57(2) . . . . ?
C16B C15B C20B C19B 47.8(18) . . . . ?
Si1B C15B C20B C19B -179.7(11) . . . . ?
C18B C19B C20B C15B -52.8(18) . . . . ?
C7C N2C C3C C4C -3(2) . . . . ?
Pd1 N2C C3C C4C 170.8(11) . . . . ?
N2C C3C C4C C5C 7(2) . . . . ?
C3C C4C C5C C6C -7(2) . . . . ?
C4C C5C C6C C7C 3(2) . . . . ?
C4C C5C C6C Si1C -179.2(11) . . . . ?
C15C Si1C C6C C5C -156.2(13) . . . . ?
C13C Si1C C6C C5C 84.1(14) . . . . ?
C8C Si1C C6C C5C -34.1(15) . . . . ?
C15C Si1C C6C C7C 21.4(14) . . . . ?
C13C Si1C C6C C7C -98.3(12) . . . . ?
C8C Si1C C6C C7C 143.4(12) . . . . ?
C5C C6C C7C N2C 1(2) . . . . ?
Si1C C6C C7C N2C -176.8(10) . . . . ?
C3C N2C C7C C6C -0.9(19) . . . . ?
Pd1 N2C C7C C6C -175.4(10) . . . . ?
C14C N9C C10C C11C -3(2) . . . . ?
Pd1 N9C C10C C11C 175.0(11) 2_665 . . . ?
N9C C10C C11C C12C 3(2) . . . . ?
C10C C11C C12C C13C 1(2) . . . . ?
C11C C12C C13C C14C -5(2) . . . . ?
C11C C12C C13C Si1C 179.0(13) . . . . ?
C15C Si1C C13C C12C 86.2(16) . . . . ?
C6C Si1C C13C C12C -155.6(14) . . . . ?
C8C Si1C C13C C12C -42.8(17) . . . . ?
C15C Si1C C13C C14C -89.5(15) . . . . ?
C6C Si1C C13C C14C 28.8(15) . . . . ?
C8C Si1C C13C C14C 141.6(13) . . . . ?
C10C N9C C14C C13C -2(2) . . . . ?
Pd1 N9C C14C C13C -179.8(11) 2_665 . . . ?
C12C C13C C14C N9C 6(2) . . . . ?
Si1C C13C C14C N9C -178.3(11) . . . . ?
C13C Si1C C15C C16C -176.7(15) . . . . ?
C6C Si1C C15C C16C 64.1(17) . . . . ?
C8C Si1C C15C C16C -49.9(18) . . . . ?
C13C Si1C C15C C20C -50.5(18) . . . . ?
C6C Si1C C15C C20C -169.7(15) . . . . ?
C8C Si1C C15C C20C 76.2(18) . . . . ?
C20C C15C C16C C17C 60(2) . . . . ?
Si1C C15C C16C C17C -172.9(15) . . . . ?
C15C C16C C17C C18C -58(3) . . . . ?
C16C C17C C18C C19C 59(3) . . . . ?
C17C C18C C19C C20C -62(3) . . . . ?
C16C C15C C20C C19C -59(2) . . . . ?
Si1C C15C C20C C19C 170.5(15) . . . . ?
C18C C19C C20C C15C 60(2) . . . . ?
C7D N2D C3D C4D 0.6(18) . . . . ?
Pd2 N2D C3D C4D 176.2(9) . . . . ?
N2D C3D C4D C5D -0.6(19) . . . . ?
C3D C4D C5D C6D 1(2) . . . . ?
C4D C5D C6D C7D -1.9(18) . . . . ?
C4D C5D C6D Si1D -178.6(11) . . . . ?
C15D Si1D C6D C7D -89.7(12) . . . . ?
C8D Si1D C6D C7D 147.9(12) . . . . ?
C13D Si1D C6D C7D 29.5(13) . . . . ?
C15D Si1D C6D C5D 86.6(12) . . . . ?
C8D Si1D C6D C5D -35.8(13) . . . . ?
C13D Si1D C6D C5D -154.2(11) . . . . ?
C3D N2D C7D C6D -1.4(19) . . . . ?
Pd2 N2D C7D C6D -176.8(10) . . . . ?
C5D C6D C7D N2D 2.0(19) . . . . ?
Si1D C6D C7D N2D 178.5(10) . . . . ?
C14D N9D C10D C11D -6(2) . . . . ?
Pd2 N9D C10D C11D 173.8(11) 2_665 . . . ?
N9D C10D C11D C12D 10(2) . . . . ?
C10D C11D C12D C13D -14(2) . . . . ?
C11D C12D C13D C14D 12(2) . . . . ?
C11D C12D C13D Si1D -176.9(12) . . . . ?
C10D N9D C14D C13D 4.0(19) . . . . ?
Pd2 N9D C14D C13D -175.6(10) 2_665 . . . ?
C12D C13D C14D N9D -7(2) . . . . ?
Si1D C13D C14D N9D -178.0(11) . . . . ?
C8D Si1D C15D C20D 64.4(12) . . . . ?
C6D Si1D C15D C20D -57.6(11) . . . . ?
C13D Si1D C15D C20D -174.4(10) . . . . ?
C8D Si1D C15D C16D -55.7(11) . . . . ?
C6D Si1D C15D C16D -177.8(9) . . . . ?
C13D Si1D C15D C16D 65.4(11) . . . . ?
C20D C15D C16D C17D 57.6(15) . . . . ?
Si1D C15D C16D C17D 179.0(9) . . . . ?
C15D C16D C17D C18D -57.4(16) . . . . ?
C16D C17D C18D C19D 59.4(18) . . . . ?
C17D C18D C19D C20D -58.8(17) . . . . ?
C16D C15D C20D C19D -60.4(15) . . . . ?
Si1D C15D C20D C19D 177.6(10) . . . . ?
C18D C19D C20D C15D 60.9(15) . . . . ?
C7E N2E C3E C4E -6(2) . . . . ?
Pd3 N2E C3E C4E -175.1(11) . . . . ?
N2E C3E C4E C5E 2(2) . . . . ?
C3E C4E C5E C6E 2(2) . . . . ?
C4E C5E C6E C7E -3(2) . . . . ?
C4E C5E C6E Si1E 179.0(12) . . . . ?
C15E Si1E C6E C5E -91.1(14) . . . . ?
C13E Si1E C6E C5E 149.6(12) . . . . ?
C8E Si1E C6E C5E 31.0(15) . . . . ?
C15E Si1E C6E C7E 90.5(14) . . . . ?
C13E Si1E C6E C7E -28.8(15) . . . . ?
C8E Si1E C6E C7E -147.4(13) . . . . ?
C3E N2E C7E C6E 6(2) . . . . ?
Pd3 N2E C7E C6E 174.4(11) . . . . ?
C5E C6E C7E N2E -2(2) . . . . ?
Si1E C6E C7E N2E 176.9(11) . . . . ?
C14E N9E C10E C11E -2(2) . . . . ?
Pd4 N9E C10E C11E 176.8(11) . . . . ?
N9E C10E C11E C12E 3(2) . . . . ?
C10E C11E C12E C13E -7(2) . . . . ?
C11E C12E C13E C14E 11(2) . . . . ?
C11E C12E C13E Si1E 178.4(11) . . . . ?
C12E C13E C14E N9E -11(2) . . . . ?
Si1E C13E C14E N9E -178.0(10) . . . . ?
C10E N9E C14E C13E 5.8(19) . . . . ?
Pd4 N9E C14E C13E -172.9(11) . . . . ?
C6E Si1E C15E C20E 176.9(10) . . . . ?
C13E Si1E C15E C20E -60.1(11) . . . . ?
C8E Si1E C15E C20E 55.0(12) . . . . ?
C6E Si1E C15E C16E 54.5(13) . . . . ?
C13E Si1E C15E C16E 177.6(11) . . . . ?
C8E Si1E C15E C16E -67.3(13) . . . . ?
C20E C15E C16E C17E 59.2(18) . . . . ?
Si1E C15E C16E C17E -179.2(11) . . . . ?
C15E C16E C17E C18E -66.2(17) . . . . ?
C16E C17E C18E C19E 67.1(18) . . . . ?
C17E C18E C19E C20E -59(2) . . . . ?
C16E C15E C20E C19E -52.1(17) . . . . ?
Si1E C15E C20E C19E -174.1(10) . . . . ?
C18E C19E C20E C15E 51.2(18) . . . . ?
C7F N2F C3F C4F -2(2) . . . . ?
Pd3 N2F C3F C4F -173.9(11) . . . . ?
N2F C3F C4F C5F -1(2) . . . . ?
C3F C4F C5F C6F -2(3) . . . . ?
C4F C5F C6F C7F 7(3) . . . . ?
C4F C5F C6F Si1F -178.6(13) . . . . ?
C3F N2F C7F C6F 9(2) . . . . ?
Pd3 N2F C7F C6F -179.5(13) . . . . ?
C5F C6F C7F N2F -12(3) . . . . ?
Si1F C6F C7F N2F 174.1(12) . . . . ?
C14F N9F C10F C11F 5(2) . . . . ?
Pd4 N9F C10F C11F -172.2(11) . . . . ?
N9F C10F C11F C12F -8(2) . . . . ?
C10F C11F C12F C13F -1(2) . . . . ?
C11F C12F C13F C14F 10(2) . . . . ?
C11F C12F C13F Si1F 177.5(13) . . . . ?
C8F Si1F C13F C14F -152.0(13) . . . . ?
C15F Si1F C13F C14F 83.7(14) . . . . ?
C6F Si1F C13F C14F -36.8(15) . . . . ?
C8F Si1F C13F C12F 42.2(15) . . . . ?
C15F Si1F C13F C12F -82.1(14) . . . . ?
C6F Si1F C13F C12F 157.4(13) . . . . ?
C10F N9F C14F C13F 7(2) . . . . ?
Pd4 N9F C14F C13F -176.2(11) . . . . ?
C12F C13F C14F N9F -14(2) . . . . ?
Si1F C13F C14F N9F 178.9(11) . . . . ?
C8F Si1F C15F C16F -63.5(14) . . . . ?
C13F Si1F C15F C16F 55.9(13) . . . . ?
C6F Si1F C15F C16F 175.8(11) . . . . ?
C8F Si1F C15F C20F 60.1(13) . . . . ?
C13F Si1F C15F C20F 179.5(10) . . . . ?
C6F Si1F C15F C20F -60.6(13) . . . . ?
C20F C15F C16F C17F 51(2) . . . . ?
Si1F C15F C16F C17F 177.0(11) . . . . ?
C15F C16F C17F C18F -51(2) . . . . ?
C16F C17F C18F C19F 50(2) . . . . ?
C17F C18F C19F C20F -53(2) . . . . ?
C16F C15F C20F C19F -53.9(18) . . . . ?
Si1F C15F C20F C19F 179.7(11) . . . . ?
C18F C19F C20F C15F 55.0(19) . . . . ?
C7G N2G C3G C4G -3(2) . . . . ?
Pd3 N2G C3G C4G 171.6(12) . . . . ?
N2G C3G C4G C5G -2(2) . . . . ?
C3G C4G C5G C6G 9(2) . . . . ?
C4G C5G C6G C7G -10.5(18) . . . . ?
C4G C5G C6G Si1G -175.8(11) . . . . ?
C15G Si1G C6G C7G -179.9(11) . . . . ?
C8G Si1G C6G C7G 52.7(13) . . . . ?
C13G Si1G C6G C7G -62.6(13) . . . . ?
C15G Si1G C6G C5G -15.4(15) . . . . ?
C8G Si1G C6G C5G -142.9(12) . . . . ?
C13G Si1G C6G C5G 101.9(13) . . . . ?
C3G N2G C7G C6G 1(2) . . . . ?
Pd3 N2G C7G C6G -174.1(10) . . . . ?
C5G C6G C7G N2G 7(2) . . . . ?
Si1G C6G C7G N2G 172.5(11) . . . . ?
C14G N9G C10G C11G -1(2) . . . . ?
Pd3 N9G C10G C11G -174.9(10) 2_655 . . . ?
N9G C10G C11G C12G -2(2) . . . . ?
C10G C11G C12G C13G 3(2) . . . . ?
C11G C12G C13G C14G -1(2) . . . . ?
C11G C12G C13G Si1G -174.1(11) . . . . ?
C6G Si1G C13G C14G 146.2(11) . . . . ?
C15G Si1G C13G C14G -93.3(12) . . . . ?
C8G Si1G C13G C14G 29.1(13) . . . . ?
C6G Si1G C13G C12G -41.3(12) . . . . ?
C15G Si1G C13G C12G 79.2(12) . . . . ?
C8G Si1G C13G C12G -158.3(11) . . . . ?
C12G C13G C14G N9G -3(2) . . . . ?
Si1G C13G C14G N9G 170.1(10) . . . . ?
C10G N9G C14G C13G 3.9(19) . . . . ?
Pd3 N9G C14G C13G 177.7(10) 2_655 . . . ?
C6G Si1G C15G C20G 170.8(11) . . . . ?
C8G Si1G C15G C20G -64.8(14) . . . . ?
C13G Si1G C15G C20G 52.3(13) . . . . ?
C6G Si1G C15G C16G -63.7(13) . . . . ?
C8G Si1G C15G C16G 60.7(12) . . . . ?
C13G Si1G C15G C16G 177.8(10) . . . . ?
C20G C15G C16G C17G -50.4(17) . . . . ?
Si1G C15G C16G C17G -176.5(11) . . . . ?
C15G C16G C17G C18G 54.0(19) . . . . ?
C16G C17G C18G C19G -59(2) . . . . ?
C17G C18G C19G C20G 57.6(19) . . . . ?
C16G C15G C20G C19G 53.3(19) . . . . ?
Si1G C15G C20G C19G 179.8(11) . . . . ?
C18G C19G C20G C15G -55.6(19) . . . . ?
C7H N2H C3H C4H -1.5(18) . . . . ?
Pd4 N2H C3H C4H 169.9(9) . . . . ?
N2H C3H C4H C5H -1(2) . . . . ?
C3H C4H C5H C6H 5(2) . . . . ?
C4H C5H C6H C7H -6(2) . . . . ?
C4H C5H C6H Si1H 178.9(12) . . . . ?
C8H Si1H C6H C7H 48.1(13) . . . . ?
C15H Si1H C6H C7H 174.7(12) . . . . ?
C13H Si1H C6H C7H -68.0(13) . . . . ?
C8H Si1H C6H C5H -137.2(11) . . . . ?
C15H Si1H C6H C5H -10.6(14) . . . . ?
C13H Si1H C6H C5H 106.6(12) . . . . ?
C5H C6H C7H N2H 4(2) . . . . ?
Si1H C6H C7H N2H 178.9(10) . . . . ?
C3H N2H C7H C6H 0(2) . . . . ?
Pd4 N2H C7H C6H -171.2(11) . . . . ?
C14H N9H C10H C11H -0.4(19) . . . . ?
Pd4 N9H C10H C11H 178.1(10) 2_655 . . . ?
N9H C10H C11H C12H -1(2) . . . . ?
C10H C11H C12H C13H 1.9(18) . . . . ?
C11H C12H C13H C14H -2.4(18) . . . . ?
C11H C12H C13H Si1H -177.8(10) . . . . ?
C10H N9H C14H C13H -0.1(18) . . . . ?
Pd4 N9H C14H C13H -178.7(9) 2_655 . . . ?
C12H C13H C14H N9H 1.5(19) . . . . ?
Si1H C13H C14H N9H 176.9(9) . . . . ?
C8H Si1H C15H C20H -66.1(14) . . . . ?
C6H Si1H C15H C20H 167.7(12) . . . . ?
C13H Si1H C15H C20H 53.2(15) . . . . ?
C8H Si1H C15H C16H 63.6(14) . . . . ?
C6H Si1H C15H C16H -62.6(14) . . . . ?
C13H Si1H C15H C16H -177.1(12) . . . . ?
C20H C15H C16H C17H -47(2) . . . . ?
Si1H C15H C16H C17H -176.9(13) . . . . ?
C15H C16H C17H C18H 51(2) . . . . ?
C16H C17H C18H C19H -54(2) . . . . ?
C17H C18H C19H C20H 52(2) . . . . ?
C16H C15H C20H C19H 44(2) . . . . ?
Si1H C15H C20H C19H 174.2(13) . . . . ?
C18H C19H C20H C15H -47(2) . . . . ?
