#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:03:49 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263654 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/79/7127945.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_7127945
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 Cl8 N16 O32 Pd4 Si8'
_chemical_formula_weight         3480.84
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_cell_angle_alpha                90
_cell_angle_beta                 98.68(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   33.458(7)
_cell_length_b                   17.790(4)
_cell_length_c                   35.572(7)
_cell_measurement_reflns_used    259991
_cell_measurement_temperature    169(2)
_cell_measurement_theta_max      33.749
_cell_measurement_theta_min      0.458
_cell_volume                     20931(8)
_computing_cell_refinement       HKL3000sm
_computing_data_collection       'PAL BL2D-SMDC Program'
_computing_data_reduction        HKL3000sm
_computing_structure_refinement  SHELXL
_computing_structure_solution    SHELXS
_diffrn_ambient_temperature      169(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_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  0.1598
_diffrn_reflns_av_unetI/netI     0.1305
_diffrn_reflns_Laue_measured_fraction_full 0.993
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            102557
_diffrn_reflns_point_group_measured_fraction_full 0.993
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        26.149
_diffrn_reflns_theta_max         26.149
_diffrn_reflns_theta_min         1.444
_diffrn_source                   'PLSII 2D bending magnet'
_exptl_absorpt_coefficient_mu    0.738
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.714
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'HKL3000sm Scalepack'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.105
_exptl_crystal_description       block
_exptl_crystal_F_000             7168
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.087
_exptl_crystal_size_min          0.053
_refine_diff_density_max         0.826
_refine_diff_density_min         -0.373
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.159
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2115
_refine_ls_number_reflns         29112
_refine_ls_number_restraints     3498
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.2251
_refine_ls_R_factor_gt           0.0988
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1000P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2539
_refine_ls_wR_factor_ref         0.2898
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8716
_reflns_number_total             29112
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cc08303h3.cif
_cod_data_source_block           PdL4ClO4_direct_sq
_cod_depositor_comments
'Adding full bibliography for 7127941--7127948.cif.'
_cod_original_cell_volume        20930(7)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7127945
_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   0.897
_shelx_estimated_absorpt_t_max   0.962
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pd1 Pd 0.22199(2) 0.29465(5) 0.60099(3) 0.1427(4) Uani 1 1 d . U . . .
Pd2 Pd 0.23986(2) 0.69150(5) 0.64756(3) 0.1397(4) Uani 1 1 d . U . . .
Pd3 Pd 0.26829(3) 0.79656(5) 0.40851(3) 0.1466(4) Uani 1 1 d . U . . .
Pd4 Pd 0.27180(3) 0.39850(6) 0.36581(3) 0.1491(4) Uani 1 1 d . U . . .
N1A N 0.2749(3) 0.2956(6) 0.6363(3) 0.140(3) Uani 1 1 d . U . . .
C2A C 0.2931(4) 0.2323(7) 0.6448(4) 0.154(3) Uani 1 1 d . U . . .
H2A H 0.280827 0.187384 0.634260 0.185 Uiso 1 1 calc R U . . .
C3A C 0.3305(4) 0.2270(8) 0.6691(4) 0.167(3) Uani 1 1 d . U . . .
H3A H 0.344965 0.180977 0.672922 0.201 Uiso 1 1 calc R U . . .
C4A C 0.3450(4) 0.2929(8) 0.6870(4) 0.167(3) Uani 1 1 d . U . . .
H4A H 0.368990 0.290899 0.705009 0.200 Uiso 1 1 calc R U . . .
C5A C 0.3263(4) 0.3602(7) 0.6799(4) 0.153(3) Uani 1 1 d . U . . .
C6A C 0.2907(3) 0.3575(7) 0.6544(3) 0.141(3) Uani 1 1 d . U . . .
H6A H 0.276302 0.403260 0.649257 0.169 Uiso 1 1 calc R U . . .
Si7A Si 0.34696(10) 0.4493(2) 0.70154(11) 0.1588(12) Uani 1 1 d . U . . .
N8A N 0.2571(3) 0.6150(5) 0.6868(3) 0.136(2) Uani 1 1 d . U . . .
C9A C 0.2409(3) 0.6027(7) 0.7177(4) 0.147(3) Uani 1 1 d . U . . .
H9A H 0.219906 0.635891 0.722150 0.177 Uiso 1 1 calc R U . . .
C10A C 0.2509(4) 0.5478(8) 0.7441(4) 0.162(3) Uani 1 1 d . U . . .
H10A H 0.236754 0.541881 0.765183 0.194 Uiso 1 1 calc R U . . .
C11A C 0.2821(4) 0.5017(7) 0.7390(4) 0.162(3) Uani 1 1 d . U . . .
H11A H 0.290408 0.464418 0.757661 0.194 Uiso 1 1 calc R U . . .
C12A C 0.3029(3) 0.5067(7) 0.7070(4) 0.145(3) Uani 1 1 d . U . . .
C13A C 0.2894(3) 0.5667(7) 0.6828(3) 0.133(3) Uani 1 1 d . U . . .
H13A H 0.303241 0.575352 0.661798 0.160 Uiso 1 1 calc R U . . .
C14A C 0.3769(3) 0.4261(7) 0.7504(3) 0.192(4) Uani 1 1 d . U . . .
H14A H 0.396978 0.465543 0.757761 0.287 Uiso 1 1 calc R U . . .
H14B H 0.390610 0.377721 0.749119 0.287 Uiso 1 1 calc R U . . .
H14C H 0.358352 0.423199 0.769177 0.287 Uiso 1 1 calc R U . . .
C15A C 0.3784(4) 0.4965(8) 0.6669(4) 0.179(3) Uani 1 1 d . U . . .
H15A H 0.359948 0.509772 0.643064 0.215 Uiso 1 1 calc R U . . .
C16A C 0.4092(4) 0.4441(8) 0.6572(4) 0.205(3) Uani 1 1 d . U . . .
H16A H 0.395784 0.399701 0.644065 0.246 Uiso 1 1 calc R U . . .
H16B H 0.426205 0.426609 0.680781 0.246 Uiso 1 1 calc R U . . .
C17A C 0.4371(4) 0.4843(9) 0.6302(4) 0.212(4) Uani 1 1 d . U . . .
H17A H 0.457613 0.448175 0.623957 0.255 Uiso 1 1 calc R U . . .
H17B H 0.420152 0.499436 0.606109 0.255 Uiso 1 1 calc R U . . .
C18A C 0.4573(4) 0.5505(9) 0.6484(5) 0.216(4) Uani 1 1 d . U . . .
H18A H 0.474769 0.574014 0.631617 0.259 Uiso 1 1 calc R U . . .
H18B H 0.474337 0.536298 0.672634 0.259 Uiso 1 1 calc R U . . .
C19A C 0.4238(4) 0.6053(8) 0.6560(5) 0.216(4) Uani 1 1 d . U . . .
H19A H 0.406763 0.618904 0.631709 0.260 Uiso 1 1 calc R U . . .
H19B H 0.435968 0.651868 0.667921 0.260 Uiso 1 1 calc R U . . .
C20A C 0.3970(4) 0.5654(8) 0.6836(4) 0.205(3) Uani 1 1 d . U . . .
H20A H 0.414160 0.553375 0.707985 0.246 Uiso 1 1 calc R U . . .
H20B H 0.375533 0.600354 0.688912 0.246 Uiso 1 1 calc R U . . .
N1B N 0.1913(3) 0.3355(6) 0.6420(3) 0.152(3) Uani 1 1 d . U . . .
C2B C 0.2000(4) 0.3111(8) 0.6769(4) 0.167(3) Uani 1 1 d . U . . .
H2B H 0.219580 0.272506 0.682510 0.200 Uiso 1 1 calc R U . . .
C3B C 0.1812(4) 0.3402(8) 0.7064(4) 0.182(3) Uani 1 1 d . U . . .
H3B H 0.187434 0.322054 0.731709 0.218 Uiso 1 1 calc R U . . .
C4B C 0.1519(4) 0.3989(8) 0.6966(4) 0.177(3) Uani 1 1 d . U . . .
H4B H 0.138506 0.421391 0.715436 0.213 Uiso 1 1 calc R U . . .
C5B C 0.1440(3) 0.4213(7) 0.6603(4) 0.152(3) Uani 1 1 d . U . . .
C6B C 0.1634(3) 0.3896(7) 0.6348(4) 0.146(3) Uani 1 1 d . U . . .
H6B H 0.157106 0.406645 0.609268 0.175 Uiso 1 1 calc R U . . .
Si7B Si 0.10170(9) 0.4926(2) 0.65063(10) 0.1530(12) Uani 1 1 d . U . . .
N8B N 0.1803(3) 0.6747(6) 0.6523(3) 0.143(3) Uani 1 1 d . U . . .
C9B C 0.1583(4) 0.7320(7) 0.6598(3) 0.148(3) Uani 1 1 d . U . . .
H9B H 0.169615 0.781144 0.661143 0.178 Uiso 1 1 calc R U . . .
C10B C 0.1198(4) 0.7221(8) 0.6656(3) 0.160(3) Uani 1 1 d . U . . .
H10B H 0.104833 0.764231 0.672098 0.192 Uiso 1 1 calc R U . . .
C11B C 0.1015(4) 0.6519(8) 0.6624(3) 0.159(3) Uani 1 1 d . U . . .
H11B H 0.074133 0.645855 0.666149 0.191 Uiso 1 1 calc R U . . .
C12B C 0.1238(3) 0.5914(7) 0.6537(3) 0.147(2) Uani 1 1 d . U . . .
C13B C 0.1644(3) 0.6027(7) 0.6496(3) 0.144(3) Uani 1 1 d . U . . .
H13B H 0.180891 0.561222 0.645024 0.172 Uiso 1 1 calc R U . . .
C14B C 0.0656(3) 0.4859(7) 0.6849(3) 0.159(4) Uani 1 1 d . U . . .
H14D H 0.057626 0.536535 0.691630 0.239 Uiso 1 1 calc R U . . .
H14E H 0.078405 0.459705 0.707786 0.239 Uiso 1 1 calc R U . . .
H14F H 0.041632 0.457910 0.673337 0.239 Uiso 1 1 calc R U . . .
C15B C 0.0742(4) 0.4846(8) 0.6026(4) 0.175(3) Uani 1 1 d . U . . .
H15B H 0.051651 0.521530 0.602054 0.209 Uiso 1 1 calc R U . . .
C16B C 0.0528(4) 0.4095(8) 0.5936(4) 0.201(4) Uani 1 1 d . U . . .
H16C H 0.038164 0.395322 0.614762 0.242 Uiso 1 1 calc R U . . .
H16D H 0.073049 0.369934 0.591155 0.242 Uiso 1 1 calc R U . . .
C17B C 0.0228(5) 0.4144(9) 0.5566(4) 0.220(4) Uani 1 1 d . U . . .
H17C H 0.008465 0.365757 0.552010 0.263 Uiso 1 1 calc R U . . .
H17D H 0.002409 0.453586 0.559218 0.263 Uiso 1 1 calc R U . . .
C18B C 0.0424(5) 0.4316(10) 0.5251(4) 0.219(4) Uani 1 1 d . U . . .
H18C H 0.022294 0.435241 0.501692 0.262 Uiso 1 1 calc R U . . .
H18D H 0.061973 0.391536 0.521436 0.262 Uiso 1 1 calc R U . . .
C19B C 0.0649(4) 0.5084(9) 0.5331(4) 0.207(4) Uani 1 1 d . U . . .
H19C H 0.080068 0.519862 0.511916 0.248 Uiso 1 1 calc R U . . .
H19D H 0.044779 0.548855 0.534096 0.248 Uiso 1 1 calc R U . . .
C20B C 0.0944(4) 0.5069(9) 0.5707(4) 0.192(3) Uani 1 1 d . U . . .
H20C H 0.116577 0.471257 0.568388 0.230 Uiso 1 1 calc R U . . .
H20D H 0.106351 0.557472 0.575679 0.230 Uiso 1 1 calc R U . . .
N1C N 0.2533(3) 0.2552(6) 0.5599(3) 0.148(3) Uani 1 1 d . U . . .
C2C C 0.2438(4) 0.1911(8) 0.5414(4) 0.156(3) Uani 1 1 d . U . . .
H2C H 0.220919 0.164214 0.546995 0.187 Uiso 1 1 calc R U . . .
C3C C 0.2646(4) 0.1622(8) 0.5154(4) 0.159(3) Uani 1 1 d . U . . .
H3C H 0.258176 0.114072 0.504573 0.191 Uiso 1 1 calc R U . . .
C4C C 0.2953(3) 0.2041(7) 0.5050(4) 0.154(3) Uani 1 1 d . U . . .
H4C H 0.309357 0.186557 0.485468 0.185 Uiso 1 1 calc R U . . .
C5C C 0.3066(3) 0.2743(7) 0.5233(4) 0.147(3) Uani 1 1 d . U . . .
C6C C 0.2834(3) 0.2971(7) 0.5493(3) 0.144(3) Uani 1 1 d . U . . .
H6C H 0.288614 0.345115 0.560652 0.173 Uiso 1 1 calc R U . . .
Si7C Si 0.35195(9) 0.3274(2) 0.51510(11) 0.1495(12) Uani 1 1 d . U . . .
N8C N 0.3218(3) 0.3608(6) 0.4001(3) 0.149(3) Uani 1 1 d . U . . .
C9C C 0.3471(4) 0.3190(7) 0.3852(4) 0.163(3) Uani 1 1 d . U . . .
H9C H 0.345221 0.316747 0.358334 0.196 Uiso 1 1 calc R U . . .
C10C C 0.3778(4) 0.2761(8) 0.4083(4) 0.170(3) Uani 1 1 d . U . . .
H10C H 0.395686 0.245057 0.396846 0.204 Uiso 1 1 calc R U . . .
C11C C 0.3809(4) 0.2806(7) 0.4463(4) 0.162(3) Uani 1 1 d . U . . .
H11C H 0.401688 0.254064 0.462099 0.195 Uiso 1 1 calc R U . . .
C12C C 0.3536(3) 0.3242(7) 0.4622(4) 0.150(3) Uani 1 1 d . U . . .
C13C C 0.3248(3) 0.3635(7) 0.4365(4) 0.144(3) Uani 1 1 d . U . . .
H13C H 0.306156 0.394496 0.446884 0.173 Uiso 1 1 calc R U . . .
C14C C 0.3465(3) 0.4245(6) 0.5279(3) 0.165(4) Uani 1 1 d . U . . .
H14G H 0.323805 0.446959 0.511008 0.247 Uiso 1 1 calc R U . . .
H14H H 0.371414 0.451879 0.525414 0.247 Uiso 1 1 calc R U . . .
H14I H 0.341400 0.427559 0.554277 0.247 Uiso 1 1 calc R U . . .
C15C C 0.3953(3) 0.2760(8) 0.5415(4) 0.173(3) Uani 1 1 d . U . . .
H15C H 0.396376 0.226108 0.528727 0.207 Uiso 1 1 calc R U . . .
C16C C 0.4373(3) 0.3130(8) 0.5423(4) 0.190(3) Uani 1 1 d . U . . .
H16E H 0.443479 0.316201 0.516008 0.228 Uiso 1 1 calc R U . . .
H16F H 0.436356 0.364857 0.552225 0.228 Uiso 1 1 calc R U . . .
C17C C 0.4708(4) 0.2705(9) 0.5665(4) 0.203(4) Uani 1 1 d . U . . .
H17E H 0.474790 0.222399 0.553554 0.243 Uiso 1 1 calc R U . . .
H17F H 0.495996 0.299894 0.567418 0.243 Uiso 1 1 calc R U . . .
C18C C 0.4651(4) 0.2531(9) 0.6062(4) 0.207(4) Uani 1 1 d . U . . .
H18E H 0.466654 0.300246 0.621203 0.249 Uiso 1 1 calc R U . . .
H18F H 0.487087 0.219549 0.617955 0.249 Uiso 1 1 calc R U . . .
C19C C 0.4248(4) 0.2158(8) 0.6076(4) 0.200(4) Uani 1 1 d . U . . .
H19E H 0.420888 0.210455 0.634485 0.240 Uiso 1 1 calc R U . . .
H19F H 0.425392 0.164647 0.596684 0.240 Uiso 1 1 calc R U . . .
C20C C 0.3889(4) 0.2589(8) 0.5860(4) 0.193(3) Uani 1 1 d . U . . .
H20X H 0.385668 0.307054 0.599134 0.232 Uiso 1 1 calc R U . . .
H20Y H 0.363917 0.229135 0.586075 0.232 Uiso 1 1 calc R U . . .
N1D N 0.1707(3) 0.2929(6) 0.5621(3) 0.143(3) Uani 1 1 d . U . . .
C2D C 0.1405(4) 0.2513(7) 0.5681(4) 0.158(3) Uani 1 1 d . U . . .
H2D H 0.139704 0.233837 0.593248 0.189 Uiso 1 1 calc R U . . .
C3D C 0.1086(3) 0.2308(7) 0.5389(4) 0.160(3) Uani 1 1 d . U . . .
H3D H 0.088614 0.195526 0.543579 0.193 Uiso 1 1 calc R U . . .
C4D C 0.1074(3) 0.2637(7) 0.5032(4) 0.151(3) Uani 1 1 d . U . . .
H4D H 0.086025 0.252924 0.483157 0.181 Uiso 1 1 calc R U . . .
C5D C 0.1383(3) 0.3127(7) 0.4980(4) 0.146(2) Uani 1 1 d . U . . .
C6D C 0.1692(3) 0.3262(7) 0.5294(4) 0.139(3) Uani 1 1 d . U . . .
H6D H 0.189835 0.361386 0.526294 0.167 Uiso 1 1 calc R U . . .
Si7D Si 0.14124(9) 0.3592(2) 0.45173(10) 0.1452(11) Uani 1 1 d . U . . .
N8D N 0.2394(3) 0.3308(6) 0.3952(3) 0.148(2) Uani 1 1 d . U . . .
C9D C 0.2459(4) 0.2587(8) 0.3975(4) 0.151(3) Uani 1 1 d . U . . .
H9D H 0.265700 0.237765 0.384054 0.182 Uiso 1 1 calc R U . . .
C10D C 0.2249(4) 0.2104(7) 0.4188(4) 0.155(3) Uani 1 1 d . U . . .
H10D H 0.231418 0.158484 0.421017 0.186 Uiso 1 1 calc R U . . .
C11D C 0.1943(3) 0.2403(7) 0.4367(4) 0.156(3) Uani 1 1 d . U . . .
H11D H 0.179217 0.208122 0.450633 0.187 Uiso 1 1 calc R U . . .
C12D C 0.1853(3) 0.3174(7) 0.4343(4) 0.146(3) Uani 1 1 d . U . . .
C13D C 0.2096(3) 0.3590(7) 0.4124(3) 0.142(3) Uani 1 1 d . U . . .
H13D H 0.204385 0.411300 0.409565 0.170 Uiso 1 1 calc R U . . .
C14D C 0.1491(3) 0.4642(6) 0.4600(3) 0.157(3) Uani 1 1 d . U . . .
H14J H 0.174258 0.472592 0.477508 0.235 Uiso 1 1 calc R U . . .
H14K H 0.126333 0.484978 0.470922 0.235 Uiso 1 1 calc R U . . .
H14L H 0.150861 0.489098 0.435681 0.235 Uiso 1 1 calc R U . . .
C15D C 0.0956(3) 0.3368(9) 0.4150(4) 0.174(3) Uani 1 1 d . U . . .
H15D H 0.090266 0.281537 0.415046 0.209 Uiso 1 1 calc R U . . .
C16D C 0.1039(4) 0.3600(9) 0.3763(4) 0.201(3) Uani 1 1 d . U . . .
H16G H 0.129238 0.336143 0.371067 0.242 Uiso 1 1 calc R U . . .
H16H H 0.107409 0.415202 0.375506 0.242 Uiso 1 1 calc R U . . .
C17D C 0.0664(4) 0.3346(10) 0.3439(4) 0.217(4) Uani 1 1 d . U . . .
H17G H 0.072176 0.347650 0.318154 0.261 Uiso 1 1 calc R U . . .
H17H H 0.061863 0.279686 0.344965 0.261 Uiso 1 1 calc R U . . .
C18D C 0.0305(4) 0.3766(10) 0.3527(4) 0.222(4) Uani 1 1 d . U . . .
H18G H 0.035441 0.431239 0.350927 0.266 Uiso 1 1 calc R U . . .
H18H H 0.006711 0.363711 0.333668 0.266 Uiso 1 1 calc R U . . .
C19D C 0.0218(4) 0.3583(10) 0.3913(4) 0.216(4) Uani 1 1 d . U . . .
H19G H 0.014753 0.304369 0.392564 0.259 Uiso 1 1 calc R U . . .
H19H H -0.001620 0.388184 0.396768 0.259 Uiso 1 1 calc R U . . .
C20D C 0.0603(3) 0.3763(9) 0.4223(4) 0.197(3) Uani 1 1 d . U . . .
H20E H 0.065668 0.431034 0.422459 0.236 Uiso 1 1 calc R U . . .
H20F H 0.054312 0.362155 0.447805 0.236 Uiso 1 1 calc R U . . .
N1E N 0.2222(3) 0.7666(5) 0.6059(3) 0.136(2) Uani 1 1 d . U . . .
C2E C 0.2342(3) 0.8388(8) 0.6059(4) 0.147(3) Uani 1 1 d . U . . .
H2E H 0.252238 0.856105 0.627287 0.176 Uiso 1 1 calc R U . . .
C3E C 0.2224(4) 0.8888(7) 0.5774(4) 0.153(3) Uani 1 1 d . U . . .
H3E H 0.231002 0.939715 0.579375 0.184 Uiso 1 1 calc R U . . .
C4E C 0.1976(3) 0.8629(7) 0.5459(4) 0.147(3) Uani 1 1 d . U . . .
H4E H 0.189387 0.895954 0.525227 0.176 Uiso 1 1 calc R U . . .
C5E C 0.1837(3) 0.7858(7) 0.5439(4) 0.136(3) Uani 1 1 d . U . . .
C6E C 0.1974(3) 0.7381(7) 0.5732(3) 0.132(3) Uani 1 1 d . U . . .
H6E H 0.190242 0.686340 0.571688 0.158 Uiso 1 1 calc R U . . .
Si7E Si 0.14605(9) 0.7530(2) 0.50142(10) 0.1423(11) Uani 1 1 d . U . . .
N8E N 0.2110(3) 0.8158(5) 0.4181(3) 0.141(3) Uani 1 1 d . U . . .
C9E C 0.1871(4) 0.8668(7) 0.3973(3) 0.152(3) Uani 1 1 d . U . . .
H9E H 0.196924 0.891324 0.376792 0.183 Uiso 1 1 calc R U . . .
C10E C 0.1495(4) 0.8843(7) 0.4048(4) 0.154(3) Uani 1 1 d . U . . .
H10E H 0.132420 0.918567 0.389394 0.185 Uiso 1 1 calc R U . . .
C11E C 0.1380(4) 0.8514(7) 0.4342(4) 0.152(3) Uani 1 1 d . U . . .
H11E H 0.111936 0.864198 0.439722 0.183 Uiso 1 1 calc R U . . .
C12E C 0.1609(3) 0.7972(6) 0.4595(3) 0.136(2) Uani 1 1 d . U . . .
C13E C 0.1970(3) 0.7837(6) 0.4488(3) 0.138(3) Uani 1 1 d . U . . .
H13E H 0.214301 0.749095 0.463696 0.166 Uiso 1 1 calc R U . . .
C14E C 0.1510(3) 0.6501(6) 0.4958(3) 0.149(3) Uani 1 1 d . U . . .
H14M H 0.132859 0.633449 0.473095 0.223 Uiso 1 1 calc R U . . .
H14N H 0.143760 0.624561 0.518249 0.223 Uiso 1 1 calc R U . . .
H14O H 0.178968 0.637791 0.493108 0.223 Uiso 1 1 calc R U . . .
C15E C 0.0953(3) 0.7829(7) 0.5107(4) 0.162(3) Uani 1 1 d . U . . .
H15E H 0.094916 0.839039 0.509146 0.194 Uiso 1 1 calc R U . . .
C16E C 0.0882(3) 0.7630(8) 0.5505(4) 0.185(3) Uani 1 1 d . U . . .
H16I H 0.109877 0.785442 0.569072 0.221 Uiso 1 1 calc R U . . .
H16J H 0.089690 0.707689 0.553629 0.221 Uiso 1 1 calc R U . . .
C17E C 0.0458(4) 0.7913(8) 0.5595(4) 0.197(4) Uani 1 1 d . U . . .
H17I H 0.041502 0.773209 0.584908 0.236 Uiso 1 1 calc R U . . .
H17J H 0.045153 0.846890 0.559623 0.236 Uiso 1 1 calc R U . . .
C18E C 0.0141(4) 0.7626(10) 0.5307(4) 0.204(4) Uani 1 1 d . U . . .
H18I H -0.012283 0.782067 0.535834 0.244 Uiso 1 1 calc R U . . .
H18J H 0.013363 0.707140 0.532624 0.244 Uiso 1 1 calc R U . . .
C19E C 0.0192(4) 0.7832(9) 0.4917(4) 0.196(4) Uani 1 1 d . U . . .
H19I H 0.017379 0.838484 0.488901 0.236 Uiso 1 1 calc R U . . .
H19J H -0.002997 0.760681 0.473651 0.236 Uiso 1 1 calc R U . . .
C20E C 0.0611(3) 0.7555(7) 0.4815(4) 0.175(3) Uani 1 1 d . U . . .
H20G H 0.061425 0.699903 0.480591 0.209 Uiso 1 1 calc R U . . .
H20H H 0.064586 0.774705 0.456095 0.209 Uiso 1 1 calc R U . . .
N1F N 0.2980(3) 0.7174(5) 0.6440(3) 0.145(3) Uani 1 1 d . U . . .
C2F C 0.3207(4) 0.7486(7) 0.6729(4) 0.162(3) Uani 1 1 d . U . . .
H2F H 0.311806 0.749043 0.696994 0.194 Uiso 1 1 calc R U . . .
C3F C 0.3574(4) 0.7809(8) 0.6692(4) 0.172(3) Uani 1 1 d . U . . .
H3F H 0.373294 0.804871 0.690135 0.206 Uiso 1 1 calc R U . . .
C4F C 0.3709(4) 0.7773(7) 0.6329(4) 0.166(3) Uani 1 1 d . U . . .
H4F H 0.395977 0.799478 0.629659 0.199 Uiso 1 1 calc R U . . .
C5F C 0.3470(3) 0.7406(7) 0.6015(4) 0.146(2) Uani 1 1 d . U . . .
C6F C 0.3106(3) 0.7110(6) 0.6085(4) 0.144(3) Uani 1 1 d . U . . .
H6F H 0.293775 0.685695 0.588600 0.173 Uiso 1 1 calc R U . . .
Si7F Si 0.36174(10) 0.7355(2) 0.55405(11) 0.1452(11) Uani 1 1 d . U . . .
N8F N 0.2880(3) 0.8301(6) 0.4626(3) 0.151(3) Uani 1 1 d . U . . .
C9F C 0.2794(3) 0.8974(8) 0.4754(4) 0.158(3) Uani 1 1 d . U . . .
H9F H 0.263358 0.930106 0.458164 0.190 Uiso 1 1 calc R U . . .
C10F C 0.2919(3) 0.9235(8) 0.5120(4) 0.167(3) Uani 1 1 d . U . . .
H10F H 0.285277 0.972294 0.519914 0.201 Uiso 1 1 calc R U . . .
C11F C 0.3151(4) 0.8731(8) 0.5363(4) 0.164(3) Uani 1 1 d . U . . .
H11F H 0.323966 0.887511 0.561967 0.197 Uiso 1 1 calc R U . . .
C12F C 0.3257(3) 0.8015(7) 0.5240(4) 0.148(3) Uani 1 1 d . U . . .
C13F C 0.3104(3) 0.7806(7) 0.4866(4) 0.143(3) Uani 1 1 d . U . . .
H13F H 0.315613 0.731633 0.477809 0.172 Uiso 1 1 calc R U . . .
C14F C 0.3521(3) 0.6390(6) 0.5368(3) 0.145(3) Uani 1 1 d . U . . .
H14P H 0.364866 0.631132 0.514015 0.217 Uiso 1 1 calc R U . . .
H14Q H 0.322919 0.630787 0.530479 0.217 Uiso 1 1 calc R U . . .
H14R H 0.363477 0.603415 0.556598 0.217 Uiso 1 1 calc R U . . .
C15F C 0.4148(3) 0.7716(7) 0.5532(4) 0.166(3) Uani 1 1 d . U . . .
H15F H 0.416845 0.822208 0.565638 0.199 Uiso 1 1 calc R U . . .
C16F C 0.4213(3) 0.7833(7) 0.5092(4) 0.177(3) Uani 1 1 d . U . . .
H16K H 0.416775 0.735203 0.495200 0.212 Uiso 1 1 calc R U . . .
H16L H 0.401766 0.820684 0.496736 0.212 Uiso 1 1 calc R U . . .
C17F C 0.4646(4) 0.8108(8) 0.5083(4) 0.192(4) Uani 1 1 d . U . . .
H17K H 0.469067 0.813966 0.481487 0.230 Uiso 1 1 calc R U . . .
H17L H 0.467283 0.862203 0.519051 0.230 Uiso 1 1 calc R U . . .
C18F C 0.4964(4) 0.7638(9) 0.5291(4) 0.200(4) Uani 1 1 d . U . . .
H18K H 0.523102 0.787368 0.528213 0.240 Uiso 1 1 calc R U . . .
H18L H 0.496278 0.713944 0.516781 0.240 Uiso 1 1 calc R U . . .
C19F C 0.4903(4) 0.7540(9) 0.5707(4) 0.198(4) Uani 1 1 d . U . . .
H19K H 0.494302 0.803258 0.583661 0.238 Uiso 1 1 calc R U . . .
H19L H 0.511272 0.719344 0.583334 0.238 Uiso 1 1 calc R U . . .
C20F C 0.4457(3) 0.7213(8) 0.5762(4) 0.182(3) Uani 1 1 d . U . . .
H20I H 0.442555 0.668863 0.566904 0.218 Uiso 1 1 calc R U . . .
H20J H 0.442402 0.722277 0.603350 0.218 Uiso 1 1 calc R U . . .
N1G N 0.3270(3) 0.7848(6) 0.4016(3) 0.145(3) Uani 1 1 d . U . . .
C2G C 0.3523(4) 0.8404(8) 0.4102(3) 0.155(3) Uani 1 1 d . U . . .
H2G H 0.342200 0.886161 0.418826 0.186 Uiso 1 1 calc R U . . .
C3G C 0.3930(4) 0.8358(8) 0.4073(3) 0.162(3) Uani 1 1 d . U . . .
H3G H 0.410807 0.876382 0.414960 0.195 Uiso 1 1 calc R U . . .
C4G C 0.4064(4) 0.7717(8) 0.3931(4) 0.166(3) Uani 1 1 d . U . . .
H4G H 0.434026 0.767754 0.389901 0.199 Uiso 1 1 calc R U . . .
C5G C 0.3811(4) 0.7126(8) 0.3835(4) 0.160(3) Uani 1 1 d . U . . .
C6G C 0.3391(4) 0.7201(7) 0.3894(3) 0.149(3) Uani 1 1 d . U . . .
H6G H 0.320832 0.679115 0.384557 0.178 Uiso 1 1 calc R U . . .
Si7G Si 0.40013(11) 0.6178(2) 0.36660(12) 0.1676(13) Uani 1 1 d . U . . .
N8G N 0.3044(3) 0.4713(6) 0.3381(3) 0.166(3) Uani 1 1 d . U . . .
C9G C 0.2968(4) 0.4766(9) 0.3022(4) 0.182(3) Uani 1 1 d . U . . .
H9G H 0.276003 0.446997 0.288189 0.219 Uiso 1 1 calc R U . . .
C10G C 0.3203(4) 0.5285(9) 0.2826(4) 0.192(3) Uani 1 1 d . U . . .
H10G H 0.315222 0.531714 0.255604 0.230 Uiso 1 1 calc R U . . .
C11G C 0.3499(4) 0.5731(8) 0.3028(4) 0.184(3) Uani 1 1 d . U . . .
H11G H 0.364637 0.609082 0.290648 0.221 Uiso 1 1 calc R U . . .
C12G C 0.3567(4) 0.5623(8) 0.3415(4) 0.162(3) Uani 1 1 d . U . . .
C13G C 0.3343(4) 0.5125(8) 0.3584(4) 0.161(3) Uani 1 1 d . U . . .
H13G H 0.339725 0.506315 0.385246 0.193 Uiso 1 1 calc R U . . .
C14G C 0.4368(3) 0.6401(8) 0.3335(4) 0.188(4) Uani 1 1 d . U . . .
H14S H 0.422220 0.646576 0.307672 0.283 Uiso 1 1 calc R U . . .
H14T H 0.456263 0.598785 0.333740 0.283 Uiso 1 1 calc R U . . .
H14U H 0.451284 0.686573 0.341693 0.283 Uiso 1 1 calc R U . . .
C15G C 0.4258(4) 0.5666(9) 0.4094(4) 0.198(3) Uani 1 1 d . U . . .
H15G H 0.450127 0.597891 0.418650 0.237 Uiso 1 1 calc R U . . .
C16G C 0.4426(4) 0.4921(9) 0.4015(4) 0.215(4) Uani 1 1 d . U . . .
H16M H 0.456388 0.496141 0.378846 0.258 Uiso 1 1 calc R U . . .
H16N H 0.420053 0.455852 0.395476 0.258 Uiso 1 1 calc R U . . .
C17G C 0.4727(5) 0.4615(9) 0.4351(4) 0.226(4) Uani 1 1 d . U . . .
H17M H 0.482033 0.410464 0.429441 0.272 Uiso 1 1 calc R U . . .
H17N H 0.496579 0.494898 0.440591 0.272 Uiso 1 1 calc R U . . .
C18G C 0.4512(5) 0.4597(10) 0.4660(5) 0.230(4) Uani 1 1 d . U . . .
H18M H 0.468672 0.437184 0.488113 0.276 Uiso 1 1 calc R U . . .
H18N H 0.427448 0.426399 0.459505 0.276 Uiso 1 1 calc R U . . .
C19G C 0.4365(4) 0.5361(10) 0.4779(5) 0.227(4) Uani 1 1 d . U . . .
H19M H 0.459120 0.572411 0.482808 0.272 Uiso 1 1 calc R U . . .
H19N H 0.423270 0.531818 0.500836 0.272 Uiso 1 1 calc R U . . .
C20G C 0.4051(4) 0.5600(9) 0.4418(4) 0.218(4) Uani 1 1 d . U . . .
H20K H 0.383454 0.521781 0.436750 0.261 Uiso 1 1 calc R U . . .
H20L H 0.392534 0.608675 0.446691 0.261 Uiso 1 1 calc R U . . .
N1H N 0.2486(3) 0.7593(6) 0.3552(3) 0.153(3) Uani 1 1 d . U . . .
C2H C 0.2667(4) 0.7784(8) 0.3269(4) 0.167(3) Uani 1 1 d . U . . .
H2H H 0.288934 0.812086 0.331327 0.200 Uiso 1 1 calc R U . . .
C3H C 0.2551(4) 0.7520(8) 0.2909(4) 0.174(3) Uani 1 1 d . U . . .
H3H H 0.269516 0.764713 0.270742 0.208 Uiso 1 1 calc R U . . .
C4H C 0.2213(4) 0.7056(8) 0.2849(4) 0.170(3) Uani 1 1 d . U . . .
H4H H 0.212257 0.688452 0.259730 0.204 Uiso 1 1 calc R U . . .
C5H C 0.2006(4) 0.6837(8) 0.3127(4) 0.160(3) Uani 1 1 d . U . . .
C6H C 0.2164(4) 0.7156(7) 0.3467(4) 0.154(3) Uani 1 1 d . U . . .
H6H H 0.202158 0.704922 0.367276 0.185 Uiso 1 1 calc R U . . .
Si7H Si 0.15487(11) 0.6243(2) 0.30429(12) 0.1695(13) Uani 1 1 d . U . . .
N8H N 0.2198(3) 0.4293(7) 0.3322(3) 0.155(3) Uani 1 1 d . U . . .
C9H C 0.1975(4) 0.3764(8) 0.3116(4) 0.163(3) Uani 1 1 d . U . . .
H9H H 0.207726 0.326810 0.310635 0.196 Uiso 1 1 calc R U . . .
C10H C 0.1604(4) 0.3933(8) 0.2922(4) 0.171(3) Uani 1 1 d . U . . .
H10H H 0.142961 0.354912 0.280643 0.206 Uiso 1 1 calc R U . . .
C11H C 0.1488(4) 0.4674(9) 0.2898(4) 0.173(3) Uani 1 1 d . U . . .
H11H H 0.123584 0.479112 0.274893 0.208 Uiso 1 1 calc R U . . .
C12H C 0.1714(4) 0.5267(8) 0.3076(4) 0.160(3) Uani 1 1 d . U . . .
C13H C 0.2070(4) 0.4999(8) 0.3287(3) 0.153(3) Uani 1 1 d . U . . .
H13H H 0.224153 0.536633 0.342116 0.184 Uiso 1 1 calc R U . . .
C14H C 0.1266(4) 0.6495(8) 0.2548(4) 0.207(5) Uani 1 1 d . U . . .
H14V H 0.097394 0.649558 0.255415 0.311 Uiso 1 1 calc R U . . .
H14W H 0.132899 0.612327 0.236219 0.311 Uiso 1 1 calc R U . . .
H14$ H 0.135006 0.699501 0.247447 0.311 Uiso 1 1 calc R U . . .
C15H C 0.1230(4) 0.6372(9) 0.3418(5) 0.205(3) Uani 1 1 d . U . . .
H15H H 0.140436 0.633298 0.367175 0.247 Uiso 1 1 calc R U . . .
C16H C 0.0890(4) 0.5844(9) 0.3409(5) 0.235(4) Uani 1 1 d . U . . .
H16O H 0.099758 0.532530 0.343216 0.283 Uiso 1 1 calc R U . . .
H16P H 0.071411 0.588713 0.316022 0.283 Uiso 1 1 calc R U . . .
C17H C 0.0630(5) 0.5984(10) 0.3732(5) 0.245(4) Uani 1 1 d . U . . .
H17O H 0.041830 0.559330 0.372244 0.294 Uiso 1 1 calc R U . . .
H17P H 0.080389 0.595286 0.398305 0.294 Uiso 1 1 calc R U . . .
C18H C 0.0434(5) 0.6756(10) 0.3685(5) 0.246(4) Uani 1 1 d . U . . .
H18O H 0.025511 0.684006 0.387810 0.295 Uiso 1 1 calc R U . . .
H18P H 0.027321 0.680912 0.342856 0.295 Uiso 1 1 calc R U . . .
C19H C 0.0790(5) 0.7315(10) 0.3738(5) 0.245(4) Uani 1 1 d . U . . .
H19O H 0.096043 0.723939 0.398729 0.294 Uiso 1 1 calc R U . . .
H19P H 0.068915 0.783960 0.372284 0.294 Uiso 1 1 calc R U . . .
C20H C 0.1055(4) 0.7132(9) 0.3378(5) 0.234(4) Uani 1 1 d . U . . .
H20M H 0.087418 0.717407 0.313183 0.281 Uiso 1 1 calc R U . . .
H20N H 0.127403 0.750702 0.338126 0.281 Uiso 1 1 calc R U . . .
Cl1K Cl 0.2599(3) 0.5750(6) 0.4341(3) 0.174(2) Uani 0.5 1 d D U P A 1
O2K O 0.2818(4) 0.5885(11) 0.4007(4) 0.195(4) Uani 0.5 1 d D U P A 1
O3K O 0.2155(3) 0.5746(9) 0.4205(4) 0.187(4) Uani 0.5 1 d D U P A 1
O4K O 0.2732(5) 0.5025(7) 0.4529(5) 0.197(4) Uani 0.5 1 d D U P A 1
O5K O 0.2695(5) 0.6373(8) 0.4624(5) 0.189(4) Uani 0.5 1 d D U P A 1
Cl1L Cl 0.2419(5) 0.5112(9) 0.5772(5) 0.177(2) Uani 0.5 1 d D U P B 1
O2L O 0.2283(6) 0.4699(11) 0.5429(5) 0.200(5) Uani 0.5 1 d D U P B 1
O3L O 0.2238(6) 0.4878(13) 0.6109(5) 0.196(5) Uani 0.5 1 d D U P B 1
O4L O 0.2351(6) 0.5904(10) 0.5724(7) 0.203(5) Uani 0.5 1 d D U P B 1
O5L O 0.2854(4) 0.5006(9) 0.5903(4) 0.180(4) Uani 0.5 1 d D U P B 1
Cl1M Cl 0.1441(5) 0.9007(11) 0.2746(5) 0.240(3) Uani 0.5 1 d D U P C 1
O2M O 0.1698(7) 0.9214(14) 0.3082(6) 0.261(5) Uani 0.5 1 d D U P C 1
O3M O 0.1439(8) 0.9499(13) 0.2402(6) 0.266(5) Uani 0.5 1 d D U P C 1
O4M O 0.1580(7) 0.8354(12) 0.2553(6) 0.255(5) Uani 0.5 1 d D U P C 1
O5M O 0.1032(6) 0.8861(15) 0.2813(7) 0.269(5) Uani 0.5 1 d D U P C 1
Cl1O Cl 0.2870(6) 0.2486(9) 0.2799(5) 0.250(3) Uani 0.5 1 d D U P D 1
O2O O 0.3272(6) 0.2790(14) 0.2781(7) 0.266(5) Uani 0.5 1 d D U P D 1
O3O O 0.2773(7) 0.2615(14) 0.3191(5) 0.253(5) Uani 0.5 1 d D U P D 1
O4O O 0.2574(7) 0.2906(12) 0.2569(6) 0.260(5) Uani 0.5 1 d D U P D 1
O5O O 0.2858(8) 0.1691(10) 0.2705(7) 0.261(5) Uani 0.5 1 d D U P D 1
Cl1P Cl 0.3689(5) 0.6941(9) 0.7730(4) 0.243(4) Uani 0.5 1 d D U P E 1
O2P O 0.3311(6) 0.6639(14) 0.7534(6) 0.257(5) Uani 0.5 1 d D U P E 1
O3P O 0.3788(7) 0.7679(12) 0.7566(7) 0.280(6) Uani 0.5 1 d D U P E 1
O4P O 0.4035(6) 0.6571(14) 0.7626(7) 0.273(5) Uani 0.5 1 d D U P E 1
O5P O 0.3668(8) 0.6939(16) 0.8130(5) 0.262(5) Uani 0.5 1 d D U P E 1
Cl1Q Cl 0.2305(6) 0.9064(13) 0.6980(7) 0.223(5) Uani 0.25 1 d D U P F 1
O2Q O 0.2315(11) 0.8267(14) 0.6994(10) 0.213(6) Uani 0.25 1 d D U P F 1
O3Q O 0.1982(10) 0.946(2) 0.6713(10) 0.232(7) Uani 0.25 1 d D U P F 1
O4Q O 0.2684(8) 0.933(2) 0.6888(10) 0.222(6) Uani 0.25 1 d D U P F 1
O5Q O 0.2255(11) 0.936(2) 0.7356(7) 0.222(7) Uani 0.25 1 d D U P F 1
Cl6K Cl 0.2653(3) 0.5761(7) 0.4342(3) 0.181(2) Uani 0.5 1 d D U P G 2
O7K O 0.2588(5) 0.5956(11) 0.3923(3) 0.198(4) Uani 0.5 1 d D U P G 2
O8K O 0.2518(5) 0.4988(7) 0.4411(5) 0.199(4) Uani 0.5 1 d D U P G 2
O9K O 0.2465(5) 0.6325(9) 0.4571(5) 0.200(5) Uani 0.5 1 d D U P G 2
O10K O 0.3112(3) 0.5790(9) 0.4464(4) 0.206(4) Uani 0.5 1 d D U P G 2
Cl6L Cl 0.2387(5) 0.5152(10) 0.5780(5) 0.179(3) Uani 0.5 1 d D U P H 2
O7L O 0.2452(6) 0.4453(10) 0.5571(6) 0.201(5) Uani 0.5 1 d D U P H 2
O8L O 0.2390(6) 0.5086(13) 0.6185(5) 0.201(5) Uani 0.5 1 d D U P H 2
O9L O 0.2547(6) 0.5875(11) 0.5636(6) 0.201(5) Uani 0.5 1 d D U P H 2
O10L O 0.1940(5) 0.5277(10) 0.5663(5) 0.203(4) Uani 0.5 1 d D U P H 2
Cl6M Cl 0.1445(5) 0.8988(11) 0.2809(5) 0.237(3) Uani 0.5 1 d D U P I 2
O7M O 0.1874(6) 0.8767(13) 0.2979(7) 0.253(5) Uani 0.5 1 d D U P I 2
O8M O 0.1210(7) 0.9185(14) 0.3101(6) 0.262(5) Uani 0.5 1 d D U P I 2
O9M O 0.1256(8) 0.8463(13) 0.2499(6) 0.267(5) Uani 0.5 1 d D U P I 2
O10M O 0.1459(8) 0.9743(11) 0.2642(6) 0.260(5) Uani 0.5 1 d D U P I 2
Cl6O Cl 0.2820(6) 0.2382(9) 0.2827(5) 0.247(3) Uani 0.5 1 d D U P J 2
O7O O 0.2950(8) 0.3178(10) 0.2877(7) 0.266(5) Uani 0.5 1 d D U P J 2
O8O O 0.2805(7) 0.2046(14) 0.2455(5) 0.262(5) Uani 0.5 1 d D U P J 2
O9O O 0.2482(6) 0.2111(13) 0.3019(7) 0.272(5) Uani 0.5 1 d D U P J 2
O10O O 0.3186(7) 0.1954(13) 0.2987(7) 0.278(5) Uani 0.5 1 d D U P J 2
Cl6P Cl 0.3695(5) 0.6716(9) 0.7829(4) 0.240(4) Uani 0.5 1 d D U P K 2
O7P O 0.3475(7) 0.6205(12) 0.8070(7) 0.275(5) Uani 0.5 1 d D U P K 2
O8P O 0.3593(8) 0.6554(15) 0.7429(5) 0.275(5) Uani 0.5 1 d D U P K 2
O9P O 0.4141(5) 0.6721(14) 0.8001(7) 0.273(5) Uani 0.5 1 d D U P K 2
O10P O 0.3549(7) 0.7501(11) 0.7848(7) 0.258(5) Uani 0.5 1 d D U P K 2
Cl6Q Cl 0.2242(6) 0.9338(12) 0.6963(6) 0.221(5) Uani 0.25 1 d D U P L 2
O7Q O 0.2228(11) 0.9897(18) 0.7269(9) 0.225(7) Uani 0.25 1 d D U P L 2
O8Q O 0.1843(8) 0.899(2) 0.6850(11) 0.231(7) Uani 0.25 1 d D U P L 2
O9Q O 0.2568(10) 0.875(2) 0.7016(11) 0.219(6) Uani 0.25 1 d D U P L 2
O10Q O 0.2256(12) 0.9823(18) 0.6624(8) 0.229(6) Uani 0.25 1 d D U P L 2
Cl1N Cl 0.1623(3) 1.0445(5) 0.4835(3) 0.153(3) Uani 0.375 1 d D U P . .
O2N O 0.1999(5) 1.0224(9) 0.4782(6) 0.168(5) Uani 0.375 1 d D U P . .
O3N O 0.1302(5) 0.9936(9) 0.4945(5) 0.158(5) Uani 0.375 1 d D U P . .
O4N O 0.1591(6) 1.1083(11) 0.5049(6) 0.202(6) Uani 0.375 1 d D U P . .
O5N O 0.1416(6) 1.0764(12) 0.4453(5) 0.216(7) Uani 0.375 1 d D U P . .
Cl6N Cl 0.3186(6) 0.0171(12) 0.6269(6) 0.142(6) Uani 0.125 1 d D U P . .
O7N O 0.3444(11) 0.048(2) 0.6003(10) 0.138(9) Uani 0.125 1 d D U P . .
O8N O 0.2767(8) 0.035(2) 0.6123(11) 0.122(9) Uani 0.125 1 d D U P . .
O9N O 0.3302(12) 0.027(2) 0.6686(7) 0.142(9) Uani 0.125 1 d D U P . .
O10N O 0.3213(12) -0.0653(13) 0.6236(11) 0.134(9) Uani 0.125 1 d D U P . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0043 0.0021 '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 0.0082 0.0043 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0142 0.0079 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.1012 0.0906 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1778 0.2018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.7272 1.2511 '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
N1A Pd1 N1D 175.9(4) . . ?
N1A Pd1 N1B 92.4(4) . . ?
N1D Pd1 N1B 91.6(4) . . ?
N1A Pd1 N1C 87.3(4) . . ?
N1D Pd1 N1C 88.8(4) . . ?
N1B Pd1 N1C 179.1(4) . . ?
N8A Pd2 N1E 177.8(4) . . ?
N8A Pd2 N1F 91.1(4) . . ?
N1E Pd2 N1F 88.9(4) . . ?
N8A Pd2 N8B 91.5(4) . . ?
N1E Pd2 N8B 88.7(4) . . ?
N1F Pd2 N8B 175.1(4) . . ?
N1H Pd3 N1G 92.1(4) . . ?
N1H Pd3 N8F 178.0(4) . . ?
N1G Pd3 N8F 87.8(4) . . ?
N1H Pd3 N8E 91.8(4) . . ?
N1G Pd3 N8E 175.3(4) . . ?
N8F Pd3 N8E 88.4(4) . . ?
N8D Pd4 N8H 89.2(4) . . ?
N8D Pd4 N8C 87.1(4) . . ?
N8H Pd4 N8C 175.9(4) . . ?
N8D Pd4 N8G 177.1(5) . . ?
N8H Pd4 N8G 91.0(4) . . ?
N8C Pd4 N8G 92.8(4) . . ?
C2A N1A C6A 117.5(11) . . ?
C2A N1A Pd1 118.6(9) . . ?
C6A N1A Pd1 123.6(8) . . ?
N1A C2A C3A 123.0(13) . . ?
N1A C2A H2A 118.5 . . ?
C3A C2A H2A 118.5 . . ?
C4A C3A C2A 116.1(13) . . ?
C4A C3A H3A 122.0 . . ?
C2A C3A H3A 122.0 . . ?
C5A C4A C3A 122.8(13) . . ?
C5A C4A H4A 118.6 . . ?
C3A C4A H4A 118.6 . . ?
C4A C5A C6A 114.7(13) . . ?
C4A C5A Si7A 123.1(11) . . ?
C6A C5A Si7A 122.2(10) . . ?
N1A C6A C5A 125.5(12) . . ?
N1A C6A H6A 117.2 . . ?
C5A C6A H6A 117.2 . . ?
C12A Si7A C5A 105.5(6) . . ?
C12A Si7A C14A 110.1(6) . . ?
C5A Si7A C14A 107.7(6) . . ?
C12A Si7A C15A 110.5(6) . . ?
C5A Si7A C15A 108.2(6) . . ?
C14A Si7A C15A 114.3(6) . . ?
C9A N8A C13A 113.7(11) . . ?
C9A N8A Pd2 126.4(9) . . ?
C13A N8A Pd2 119.9(8) . . ?
N8A C9A C10A 127.4(13) . . ?
N8A C9A H9A 116.3 . . ?
C10A C9A H9A 116.3 . . ?
C11A C10A C9A 116.9(14) . . ?
C11A C10A H10A 121.6 . . ?
C9A C10A H10A 121.6 . . ?
C10A C11A C12A 123.2(13) . . ?
C10A C11A H11A 118.4 . . ?
C12A C11A H11A 118.4 . . ?
C13A C12A C11A 112.7(12) . . ?
C13A C12A Si7A 123.5(10) . . ?
C11A C12A Si7A 123.3(11) . . ?
C12A C13A N8A 126.0(11) . . ?
C12A C13A H13A 117.0 . . ?
N8A C13A H13A 117.0 . . ?
Si7A C14A H14A 109.5 . . ?
Si7A C14A H14B 109.5 . . ?
H14A C14A H14B 109.5 . . ?
Si7A C14A H14C 109.5 . . ?
H14A C14A H14C 109.5 . . ?
H14B C14A H14C 109.5 . . ?
C20A C15A C16A 111.1(12) . . ?
C20A C15A Si7A 110.2(11) . . ?
C16A C15A Si7A 110.1(10) . . ?
C20A C15A H15A 108.5 . . ?
C16A C15A H15A 108.5 . . ?
Si7A C15A H15A 108.5 . . ?
C15A C16A C17A 110.5(12) . . ?
C15A C16A H16A 109.6 . . ?
C17A C16A H16A 109.6 . . ?
C15A C16A H16B 109.6 . . ?
C17A C16A H16B 109.6 . . ?
H16A C16A H16B 108.1 . . ?
C18A C17A C16A 111.4(14) . . ?
C18A C17A H17A 109.3 . . ?
C16A C17A H17A 109.3 . . ?
C18A C17A H17B 109.3 . . ?
C16A C17A H17B 109.3 . . ?
H17A C17A H17B 108.0 . . ?
C17A C18A C19A 106.7(13) . . ?
C17A C18A H18A 110.4 . . ?
C19A C18A H18A 110.4 . . ?
C17A C18A H18B 110.4 . . ?
C19A C18A H18B 110.4 . . ?
H18A C18A H18B 108.6 . . ?
C18A C19A C20A 108.5(13) . . ?
C18A C19A H19A 110.0 . . ?
C20A C19A H19A 110.0 . . ?
C18A C19A H19B 110.0 . . ?
C20A C19A H19B 110.0 . . ?
H19A C19A H19B 108.4 . . ?
C15A C20A C19A 111.7(13) . . ?
C15A C20A H20A 109.3 . . ?
C19A C20A H20A 109.3 . . ?
C15A C20A H20B 109.3 . . ?
C19A C20A H20B 109.3 . . ?
H20A C20A H20B 107.9 . . ?
C2B N1B C6B 118.0(13) . . ?
C2B N1B Pd1 119.9(10) . . ?
C6B N1B Pd1 122.1(10) . . ?
N1B C2B C3B 121.9(14) . . ?
N1B C2B H2B 119.0 . . ?
C3B C2B H2B 119.1 . . ?
C2B C3B C4B 116.9(14) . . ?
C2B C3B H3B 121.5 . . ?
C4B C3B H3B 121.5 . . ?
C5B C4B C3B 118.6(14) . . ?
C5B C4B H4B 120.7 . . ?
C3B C4B H4B 120.7 . . ?
C6B C5B C4B 119.4(14) . . ?
C6B C5B Si7B 126.3(12) . . ?
C4B C5B Si7B 114.2(11) . . ?
C5B C6B N1B 125.2(13) . . ?
C5B C6B H6B 117.4 . . ?
N1B C6B H6B 117.4 . . ?
C15B Si7B C14B 109.1(5) . . ?
C15B Si7B C5B 112.1(6) . . ?
C14B Si7B C5B 112.5(6) . . ?
C15B Si7B C12B 105.2(6) . . ?
C14B Si7B C12B 108.1(5) . . ?
C5B Si7B C12B 109.6(5) . . ?
C9B N8B C13B 120.9(11) . . ?
C9B N8B Pd2 119.2(9) . . ?
C13B N8B Pd2 119.9(8) . . ?
N8B C9B C10B 120.6(13) . . ?
N8B C9B H9B 119.7 . . ?
C10B C9B H9B 119.7 . . ?
C9B C10B C11B 121.8(13) . . ?
C9B C10B H10B 119.1 . . ?
C11B C10B H10B 119.1 . . ?
C12B C11B C10B 118.3(12) . . ?
C12B C11B H11B 120.9 . . ?
C10B C11B H11B 120.9 . . ?
C11B C12B C13B 118.7(12) . . ?
C11B C12B Si7B 121.0(10) . . ?
C13B C12B Si7B 120.1(9) . . ?
N8B C13B C12B 119.6(11) . . ?
N8B C13B H13B 120.2 . . ?
C12B C13B H13B 120.2 . . ?
Si7B C14B H14D 109.5 . . ?
Si7B C14B H14E 109.5 . . ?
H14D C14B H14E 109.5 . . ?
Si7B C14B H14F 109.5 . . ?
H14D C14B H14F 109.5 . . ?
H14E C14B H14F 109.5 . . ?
C20B C15B C16B 109.4(12) . . ?
C20B C15B Si7B 118.9(9) . . ?
C16B C15B Si7B 114.9(10) . . ?
C20B C15B H15B 103.9 . . ?
C16B C15B H15B 103.9 . . ?
Si7B C15B H15B 103.9 . . ?
C15B C16B C17B 110.9(12) . . ?
C15B C16B H16C 109.5 . . ?
C17B C16B H16C 109.5 . . ?
C15B C16B H16D 109.5 . . ?
C17B C16B H16D 109.5 . . ?
H16C C16B H16D 108.0 . . ?
C18B C17B C16B 111.8(14) . . ?
C18B C17B H17C 109.3 . . ?
C16B C17B H17C 109.3 . . ?
C18B C17B H17D 109.3 . . ?
C16B C17B H17D 109.3 . . ?
H17C C17B H17D 107.9 . . ?
C17B C18B C19B 108.3(14) . . ?
C17B C18B H18C 110.0 . . ?
C19B C18B H18C 110.0 . . ?
C17B C18B H18D 110.0 . . ?
C19B C18B H18D 110.0 . . ?
H18C C18B H18D 108.4 . . ?
C20B C19B C18B 111.7(13) . . ?
C20B C19B H19C 109.3 . . ?
C18B C19B H19C 109.3 . . ?
C20B C19B H19D 109.3 . . ?
C18B C19B H19D 109.3 . . ?
H19C C19B H19D 107.9 . . ?
C15B C20B C19B 111.8(11) . . ?
C15B C20B H20C 109.2 . . ?
C19B C20B H20C 109.2 . . ?
C15B C20B H20D 109.2 . . ?
C19B C20B H20D 109.2 . . ?
H20C C20B H20D 107.9 . . ?
C2C N1C C6C 117.9(12) . . ?
C2C N1C Pd1 122.4(9) . . ?
C6C N1C Pd1 119.5(9) . . ?
N1C C2C C3C 124.0(13) . . ?
N1C C2C H2C 118.0 . . ?
C3C C2C H2C 118.0 . . ?
C2C C3C C4C 117.8(14) . . ?
C2C C3C H3C 121.1 . . ?
C4C C3C H3C 121.1 . . ?
C3C C4C C5C 120.8(13) . . ?
C3C C4C H4C 119.6 . . ?
C5C C4C H4C 119.6 . . ?
C6C C5C C4C 115.6(12) . . ?
C6C C5C Si7C 121.5(11) . . ?
C4C C5C Si7C 122.7(10) . . ?
N1C C6C C5C 123.5(13) . . ?
N1C C6C H6C 118.3 . . ?
C5C C6C H6C 118.3 . . ?
C14C Si7C C15C 116.6(6) . . ?
C14C Si7C C5C 109.5(6) . . ?
C15C Si7C C5C 105.5(6) . . ?
C14C Si7C C12C 107.4(6) . . ?
C15C Si7C C12C 110.7(6) . . ?
C5C Si7C C12C 106.8(6) . . ?
C13C N8C C9C 118.3(12) . . ?
C13C N8C Pd4 121.7(9) . . ?
C9C N8C Pd4 118.3(9) . . ?
N8C C9C C10C 121.8(13) . . ?
N8C C9C H9C 119.1 . . ?
C10C C9C H9C 119.1 . . ?
C11C C10C C9C 119.0(13) . . ?
C11C C10C H10C 120.5 . . ?
C9C C10C H10C 120.5 . . ?
C10C C11C C12C 119.3(13) . . ?
C10C C11C H11C 120.4 . . ?
C12C C11C H11C 120.4 . . ?
C11C C12C C13C 116.1(12) . . ?
C11C C12C Si7C 122.9(10) . . ?
C13C C12C Si7C 120.8(10) . . ?
N8C C13C C12C 125.4(12) . . ?
N8C C13C H13C 117.3 . . ?
C12C C13C H13C 117.3 . . ?
Si7C C14C H14G 109.5 . . ?
Si7C C14C H14H 109.5 . . ?
H14G C14C H14H 109.5 . . ?
Si7C C14C H14I 109.5 . . ?
H14G C14C H14I 109.5 . . ?
H14H C14C H14I 109.5 . . ?
C16C C15C C20C 107.9(10) . . ?
C16C C15C Si7C 116.1(9) . . ?
C20C C15C Si7C 111.9(8) . . ?
C16C C15C H15C 106.8 . . ?
C20C C15C H15C 106.8 . . ?
Si7C C15C H15C 106.8 . . ?
C17C C16C C15C 113.0(11) . . ?
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 117.1(13) . . ?
C18C C17C H17E 108.0 . . ?
C16C C17C H17E 108.0 . . ?
C18C C17C H17F 108.0 . . ?
C16C C17C H17F 108.0 . . ?
H17E C17C H17F 107.3 . . ?
C17C C18C C19C 111.4(12) . . ?
C17C C18C H18E 109.4 . . ?
C19C C18C H18E 109.4 . . ?
C17C C18C H18F 109.4 . . ?
C19C C18C H18F 109.4 . . ?
H18E C18C H18F 108.0 . . ?
C18C C19C C20C 113.6(12) . . ?
C18C C19C H19E 108.8 . . ?
C20C C19C H19E 108.8 . . ?
C18C C19C H19F 108.8 . . ?
C20C C19C H19F 108.8 . . ?
H19E C19C H19F 107.7 . . ?
C19C C20C C15C 111.5(11) . . ?
C19C C20C H20X 109.3 . . ?
C15C C20C H20X 109.3 . . ?
C19C C20C H20Y 109.3 . . ?
C15C C20C H20Y 109.3 . . ?
H20X C20C H20Y 108.0 . . ?
C2D N1D C6D 118.9(11) . . ?
C2D N1D Pd1 119.6(9) . . ?
C6D N1D Pd1 121.1(8) . . ?
N1D C2D C3D 122.9(13) . . ?
N1D C2D H2D 118.6 . . ?
C3D C2D H2D 118.6 . . ?
C4D C3D C2D 118.3(13) . . ?
C4D C3D H3D 120.8 . . ?
C2D C3D H3D 120.8 . . ?
C5D C4D C3D 117.8(12) . . ?
C5D C4D H4D 121.1 . . ?
C3D C4D H4D 121.1 . . ?
C4D C5D C6D 117.9(12) . . ?
C4D C5D Si7D 122.7(10) . . ?
C6D C5D Si7D 119.4(10) . . ?
N1D C6D C5D 123.4(12) . . ?
N1D C6D H6D 118.3 . . ?
C5D C6D H6D 118.3 . . ?
C12D Si7D C5D 105.7(5) . . ?
C12D Si7D C15D 106.6(6) . . ?
C5D Si7D C15D 111.8(6) . . ?
C12D Si7D C14D 110.5(5) . . ?
C5D Si7D C14D 109.0(6) . . ?
C15D Si7D C14D 113.0(6) . . ?
C9D N8D C13D 117.8(12) . . ?
C9D N8D Pd4 121.7(10) . . ?
C13D N8D Pd4 120.6(9) . . ?
N8D C9D C10D 123.1(13) . . ?
N8D C9D H9D 118.5 . . ?
C10D C9D H9D 118.5 . . ?
C11D C10D C9D 118.5(13) . . ?
C11D C10D H10D 120.8 . . ?
C9D C10D H10D 120.8 . . ?
C10D C11D C12D 120.8(13) . . ?
C10D C11D H11D 119.6 . . ?
C12D C11D H11D 119.6 . . ?
C11D C12D C13D 113.9(12) . . ?
C11D C12D Si7D 123.4(10) . . ?
C13D C12D Si7D 122.0(10) . . ?
N8D C13D C12D 125.8(12) . . ?
N8D C13D H13D 117.1 . . ?
C12D C13D H13D 117.1 . . ?
Si7D C14D H14J 109.5 . . ?
Si7D C14D H14K 109.5 . . ?
H14J C14D H14K 109.5 . . ?
Si7D C14D H14L 109.5 . . ?
H14J C14D H14L 109.5 . . ?
H14K C14D H14L 109.5 . . ?
C20D C15D C16D 107.8(12) . . ?
C20D C15D Si7D 111.8(10) . . ?
C16D C15D Si7D 109.4(9) . . ?
C20D C15D H15D 109.3 . . ?
C16D C15D H15D 109.3 . . ?
Si7D C15D H15D 109.3 . . ?
C15D C16D C17D 110.0(11) . . ?
C15D C16D H16G 109.7 . . ?
C17D C16D H16G 109.7 . . ?
C15D C16D H16H 109.7 . . ?
C17D C16D H16H 109.7 . . ?
H16G C16D H16H 108.2 . . ?
C18D C17D C16D 105.7(13) . . ?
C18D C17D H17G 110.6 . . ?
C16D C17D H17G 110.6 . . ?
C18D C17D H17H 110.6 . . ?
C16D C17D H17H 110.6 . . ?
H17G C17D H17H 108.7 . . ?
C19D C18D C17D 111.3(13) . . ?
C19D C18D H18G 109.4 . . ?
C17D C18D H18G 109.4 . . ?
C19D C18D H18H 109.4 . . ?
C17D C18D H18H 109.4 . . ?
H18G C18D H18H 108.0 . . ?
C18D C19D C20D 110.2(12) . . ?
C18D C19D H19G 109.6 . . ?
C20D C19D H19G 109.6 . . ?
C18D C19D H19H 109.6 . . ?
C20D C19D H19H 109.6 . . ?
H19G C19D H19H 108.1 . . ?
C15D C20D C19D 112.2(12) . . ?
C15D C20D H20E 109.2 . . ?
C19D C20D H20E 109.2 . . ?
C15D C20D H20F 109.2 . . ?
C19D C20D H20F 109.2 . . ?
H20E C20D H20F 107.9 . . ?
C2E N1E C6E 118.5(11) . . ?
C2E N1E Pd2 125.5(9) . . ?
C6E N1E Pd2 115.9(8) . . ?
N1E C2E C3E 125.0(13) . . ?
N1E C2E H2E 117.5 . . ?
C3E C2E H2E 117.5 . . ?
C2E C3E C4E 117.4(13) . . ?
C2E C3E H3E 121.3 . . ?
C4E C3E H3E 121.3 . . ?
C3E C4E C5E 120.7(12) . . ?
C3E C4E H4E 119.6 . . ?
C5E C4E H4E 119.6 . . ?
C6E C5E C4E 118.8(12) . . ?
C6E C5E Si7E 121.2(10) . . ?
C4E C5E Si7E 120.0(10) . . ?
C5E C6E N1E 119.4(12) . . ?
C5E C6E H6E 120.3 . . ?
N1E C6E H6E 120.3 . . ?
C12E Si7E C14E 107.4(5) . . ?
C12E Si7E C15E 113.1(6) . . ?
C14E Si7E C15E 113.7(6) . . ?
C12E Si7E C5E 106.7(5) . . ?
C14E Si7E C5E 109.2(5) . . ?
C15E Si7E C5E 106.5(5) . . ?
C9E N8E C13E 118.0(11) . . ?
C9E N8E Pd3 121.1(9) . . ?
C13E N8E Pd3 120.5(8) . . ?
N8E C9E C10E 122.2(13) . . ?
N8E C9E H9E 118.9 . . ?
C10E C9E H9E 118.9 . . ?
C11E C10E C9E 116.5(13) . . ?
C11E C10E H10E 121.7 . . ?
C9E C10E H10E 121.7 . . ?
C10E C11E C12E 126.9(13) . . ?
C10E C11E H11E 116.5 . . ?
C12E C11E H11E 116.5 . . ?
C13E C12E C11E 111.0(11) . . ?
C13E C12E Si7E 121.5(10) . . ?
C11E C12E Si7E 127.5(9) . . ?
C12E C13E N8E 125.3(11) . . ?
C12E C13E H13E 117.3 . . ?
N8E C13E H13E 117.3 . . ?
Si7E C14E H14M 109.5 . . ?
Si7E C14E H14N 109.5 . . ?
H14M C14E H14N 109.5 . . ?
Si7E C14E H14O 109.5 . . ?
H14M C14E H14O 109.5 . . ?
H14N C14E H14O 109.5 . . ?
C20E C15E C16E 110.9(11) . . ?
C20E C15E Si7E 114.0(9) . . ?
C16E C15E Si7E 112.2(8) . . ?
C20E C15E H15E 106.4 . . ?
C16E C15E H15E 106.4 . . ?
Si7E C15E H15E 106.4 . . ?
C15E C16E C17E 112.9(11) . . ?
C15E C16E H16I 109.0 . . ?
C17E C16E H16I 109.0 . . ?
C15E C16E H16J 109.0 . . ?
C17E C16E H16J 109.0 . . ?
H16I C16E H16J 107.8 . . ?
C18E C17E C16E 109.1(12) . . ?
C18E C17E H17I 109.9 . . ?
C16E C17E H17I 109.9 . . ?
C18E C17E H17J 109.9 . . ?
C16E C17E H17J 109.9 . . ?
H17I C17E H17J 108.3 . . ?
C17E C18E C19E 113.7(13) . . ?
C17E C18E H18I 108.8 . . ?
C19E C18E H18I 108.8 . . ?
C17E C18E H18J 108.8 . . ?
C19E C18E H18J 108.8 . . ?
H18I C18E H18J 107.7 . . ?
C18E C19E C20E 111.9(12) . . ?
C18E C19E H19I 109.2 . . ?
C20E C19E H19I 109.2 . . ?
C18E C19E H19J 109.2 . . ?
C20E C19E H19J 109.2 . . ?
H19I C19E H19J 107.9 . . ?
C15E C20E C19E 110.5(10) . . ?
C15E C20E H20G 109.5 . . ?
C19E C20E H20G 109.5 . . ?
C15E C20E H20H 109.5 . . ?
C19E C20E H20H 109.5 . . ?
H20G C20E H20H 108.1 . . ?
C2F N1F C6F 121.8(11) . . ?
C2F N1F Pd2 119.9(9) . . ?
C6F N1F Pd2 117.6(8) . . ?
N1F C2F C3F 121.5(13) . . ?
N1F C2F H2F 119.3 . . ?
C3F C2F H2F 119.3 . . ?
C2F C3F C4F 118.3(13) . . ?
C2F C3F H3F 120.8 . . ?
C4F C3F H3F 120.8 . . ?
C5F C4F C3F 120.6(12) . . ?
C5F C4F H4F 119.7 . . ?
C3F C4F H4F 119.7 . . ?
C6F C5F C4F 115.8(12) . . ?
C6F C5F Si7F 121.0(10) . . ?
C4F C5F Si7F 123.1(10) . . ?
C5F C6F N1F 121.9(12) . . ?
C5F C6F H6F 119.1 . . ?
N1F C6F H6F 119.1 . . ?
C5F Si7F C14F 107.3(5) . . ?
C5F Si7F C15F 112.4(6) . . ?
C14F Si7F C15F 115.4(5) . . ?
C5F Si7F C12F 104.6(5) . . ?
C14F Si7F C12F 109.1(5) . . ?
C15F Si7F C12F 107.5(5) . . ?
C9F N8F C13F 119.5(12) . . ?
C9F N8F Pd3 122.3(10) . . ?
C13F N8F Pd3 118.2(9) . . ?
N8F C9F C10F 125.0(13) . . ?
N8F C9F H9F 117.5 . . ?
C10F C9F H9F 117.5 . . ?
C9F C10F C11F 115.4(13) . . ?
C9F C10F H10F 122.3 . . ?
C11F C10F H10F 122.3 . . ?
C10F C11F C12F 121.9(13) . . ?
C10F C11F H11F 119.1 . . ?
C12F C11F H11F 119.1 . . ?
C13F C12F C11F 117.5(12) . . ?
C13F C12F Si7F 118.8(10) . . ?
C11F C12F Si7F 123.6(11) . . ?
N8F C13F C12F 120.6(12) . . ?
N8F C13F H13F 119.7 . . ?
C12F C13F H13F 119.7 . . ?
Si7F C14F H14P 109.5 . . ?
Si7F C14F H14Q 109.5 . . ?
H14P C14F H14Q 109.5 . . ?
Si7F C14F H14R 109.5 . . ?
H14P C14F H14R 109.5 . . ?
H14Q C14F H14R 109.5 . . ?
C20F C15F C16F 114.5(11) . . ?
C20F C15F Si7F 111.0(9) . . ?
C16F C15F Si7F 108.7(8) . . ?
C20F C15F H15F 107.4 . . ?
C16F C15F H15F 107.4 . . ?
Si7F C15F H15F 107.4 . . ?
C17F C16F C15F 108.9(10) . . ?
C17F C16F H16K 109.9 . . ?
C15F C16F H16K 109.9 . . ?
C17F C16F H16L 109.9 . . ?
C15F C16F H16L 109.9 . . ?
H16K C16F H16L 108.3 . . ?
C18F C17F C16F 115.2(12) . . ?
C18F C17F H17K 108.5 . . ?
C16F C17F H17K 108.5 . . ?
C18F C17F H17L 108.5 . . ?
C16F C17F H17L 108.5 . . ?
H17K C17F H17L 107.5 . . ?
C17F C18F C19F 111.0(13) . . ?
C17F C18F H18K 109.4 . . ?
C19F C18F H18K 109.4 . . ?
C17F C18F H18L 109.4 . . ?
C19F C18F H18L 109.4 . . ?
H18K C18F H18L 108.0 . . ?
C18F C19F C20F 114.4(11) . . ?
C18F C19F H19K 108.7 . . ?
C20F C19F H19K 108.7 . . ?
C18F C19F H19L 108.7 . . ?
C20F C19F H19L 108.7 . . ?
H19K C19F H19L 107.6 . . ?
C15F C20F C19F 106.6(10) . . ?
C15F C20F H20I 110.4 . . ?
C19F C20F H20I 110.4 . . ?
C15F C20F H20J 110.4 . . ?
C19F C20F H20J 110.4 . . ?
H20I C20F H20J 108.6 . . ?
C2G N1G C6G 121.2(12) . . ?
C2G N1G Pd3 120.0(10) . . ?
C6G N1G Pd3 118.8(9) . . ?
N1G C2G C3G 123.3(14) . . ?
N1G C2G H2G 118.4 . . ?
C3G C2G H2G 118.4 . . ?
C4G C3G C2G 117.7(14) . . ?
C4G C3G H3G 121.2 . . ?
C2G C3G H3G 121.2 . . ?
C3G C4G C5G 121.1(14) . . ?
C3G C4G H4G 119.5 . . ?
C5G C4G H4G 119.5 . . ?
C4G C5G C6G 118.0(13) . . ?
C4G C5G Si7G 122.1(11) . . ?
C6G C5G Si7G 119.7(10) . . ?
N1G C6G C5G 118.6(12) . . ?
N1G C6G H6G 120.7 . . ?
C5G C6G H6G 120.7 . . ?
C15G Si7G C14G 110.6(6) . . ?
C15G Si7G C12G 111.2(7) . . ?
C14G Si7G C12G 110.4(6) . . ?
C15G Si7G C5G 107.8(6) . . ?
C14G Si7G C5G 106.8(6) . . ?
C12G Si7G C5G 109.9(6) . . ?
C9G N8G C13G 121.1(14) . . ?
C9G N8G Pd4 119.6(11) . . ?
C13G N8G Pd4 119.3(10) . . ?
N8G C9G C10G 119.3(15) . . ?
N8G C9G H9G 120.4 . . ?
C10G C9G H9G 120.4 . . ?
C11G C10G C9G 120.7(15) . . ?
C11G C10G H10G 119.6 . . ?
C9G C10G H10G 119.6 . . ?
C12G C11G C10G 116.0(15) . . ?
C12G C11G H11G 122.0 . . ?
C10G C11G H11G 122.0 . . ?
C13G C12G C11G 121.1(14) . . ?
C13G C12G Si7G 125.0(12) . . ?
C11G C12G Si7G 113.8(12) . . ?
N8G C13G C12G 121.8(14) . . ?
N8G C13G H13G 119.1 . . ?
C12G C13G H13G 119.1 . . ?
Si7G C14G H14S 109.5 . . ?
Si7G C14G H14T 109.5 . . ?
H14S C14G H14T 109.5 . . ?
Si7G C14G H14U 109.5 . . ?
H14S C14G H14U 109.5 . . ?
H14T C14G H14U 109.5 . . ?
C20G C15G C16G 108.7(15) . . ?
C20G C15G Si7G 118.4(11) . . ?
C16G C15G Si7G 115.0(11) . . ?
C20G C15G H15G 104.4 . . ?
C16G C15G H15G 104.4 . . ?
Si7G C15G H15G 104.4 . . ?
C15G C16G C17G 113.0(14) . . ?
C15G C16G H16M 109.0 . . ?
C17G C16G H16M 109.0 . . ?
C15G C16G H16N 109.0 . . ?
C17G C16G H16N 109.0 . . ?
H16M C16G H16N 107.8 . . ?
C18G C17G C16G 105.2(14) . . ?
C18G C17G H17M 110.7 . . ?
C16G C17G H17M 110.7 . . ?
C18G C17G H17N 110.7 . . ?
C16G C17G H17N 110.7 . . ?
H17M C17G H17N 108.8 . . ?
C17G C18G C19G 114.9(17) . . ?
C17G C18G H18M 108.6 . . ?
C19G C18G H18M 108.6 . . ?
C17G C18G H18N 108.6 . . ?
C19G C18G H18N 108.6 . . ?
H18M C18G H18N 107.5 . . ?
C18G C19G C20G 102.5(14) . . ?
C18G C19G H19M 111.3 . . ?
C20G C19G H19M 111.3 . . ?
C18G C19G H19N 111.3 . . ?
C20G C19G H19N 111.3 . . ?
H19M C19G H19N 109.2 . . ?
C15G C20G C19G 109.2(13) . . ?
C15G C20G H20K 109.8 . . ?
C19G C20G H20K 109.8 . . ?
C15G C20G H20L 109.8 . . ?
C19G C20G H20L 109.8 . . ?
H20K C20G H20L 108.3 . . ?
C2H N1H C6H 115.7(13) . . ?
C2H N1H Pd3 121.3(11) . . ?
C6H N1H Pd3 122.9(10) . . ?
N1H C2H C3H 122.6(15) . . ?
N1H C2H H2H 118.7 . . ?
C3H C2H H2H 118.7 . . ?
C2H C3H C4H 117.3(15) . . ?
C2H C3H H3H 121.3 . . ?
C4H C3H H3H 121.3 . . ?
C5H C4H C3H 123.7(15) . . ?
C5H C4H H4H 118.2 . . ?
C3H C4H H4H 118.2 . . ?
C4H C5H C6H 110.9(14) . . ?
C4H C5H Si7H 123.4(12) . . ?
C6H C5H Si7H 125.6(12) . . ?
N1H C6H C5H 129.6(14) . . ?
N1H C6H H6H 115.2 . . ?
C5H C6H H6H 115.2 . . ?
C12H Si7H C15H 106.0(7) . . ?
C12H Si7H C5H 107.4(6) . . ?
C15H Si7H C5H 111.5(7) . . ?
C12H Si7H C14H 112.6(6) . . ?
C15H Si7H C14H 112.1(7) . . ?
C5H Si7H C14H 107.3(6) . . ?
C13H N8H C9H 117.5(12) . . ?
C13H N8H Pd4 123.2(10) . . ?
C9H N8H Pd4 119.2(10) . . ?
N8H C9H C10H 120.8(14) . . ?
N8H C9H H9H 119.6 . . ?
C10H C9H H9H 119.6 . . ?
C9H C10H C11H 118.0(14) . . ?
C9H C10H H10H 121.0 . . ?
C11H C10H H10H 121.0 . . ?
C10H C11H C12H 124.8(14) . . ?
C10H C11H H11H 117.6 . . ?
C12H C11H H11H 117.6 . . ?
C11H C12H C13H 110.3(13) . . ?
C11H C12H Si7H 123.7(11) . . ?
C13H C12H Si7H 126.0(11) . . ?
N8H C13H C12H 127.9(13) . . ?
N8H C13H H13H 116.1 . . ?
C12H C13H H13H 116.1 . . ?
Si7H C14H H14V 109.5 . . ?
Si7H C14H H14W 109.5 . . ?
H14V C14H H14W 109.5 . . ?
Si7H C14H H14$ 109.5 . . ?
H14V C14H H14$ 109.5 . . ?
H14W C14H H14$ 109.5 . . ?
C16H C15H C20H 106.9(13) . . ?
C16H C15H Si7H 115.8(12) . . ?
C20H C15H Si7H 108.0(12) . . ?
C16H C15H H15H 108.7 . . ?
C20H C15H H15H 108.7 . . ?
Si7H C15H H15H 108.7 . . ?
C15H C16H C17H 113.4(14) . . ?
C15H C16H H16O 108.9 . . ?
C17H C16H H16O 108.9 . . ?
C15H C16H H16P 108.9 . . ?
C17H C16H H16P 108.9 . . ?
H16O C16H H16P 107.7 . . ?
C18H C17H C16H 109.9(15) . . ?
C18H C17H H17O 109.7 . . ?
C16H C17H H17O 109.7 . . ?
C18H C17H H17P 109.7 . . ?
C16H C17H H17P 109.7 . . ?
H17O C17H H17P 108.2 . . ?
C17H C18H C19H 105.0(14) . . ?
C17H C18H H18O 110.8 . . ?
C19H C18H H18O 110.8 . . ?
C17H C18H H18P 110.8 . . ?
C19H C18H H18P 110.8 . . ?
H18O C18H H18P 108.8 . . ?
C18H C19H C20H 105.4(14) . . ?
C18H C19H H19O 110.7 . . ?
C20H C19H H19O 110.7 . . ?
C18H C19H H19P 110.7 . . ?
C20H C19H H19P 110.7 . . ?
H19O C19H H19P 108.8 . . ?
C15H C20H C19H 110.5(14) . . ?
C15H C20H H20M 109.6 . . ?
C19H C20H H20M 109.6 . . ?
C15H C20H H20N 109.6 . . ?
C19H C20H H20N 109.6 . . ?
H20M C20H H20N 108.1 . . ?
O4K Cl1K O3K 110.9(6) . . ?
O4K Cl1K O5K 108.7(7) . . ?
O3K Cl1K O5K 108.8(10) . . ?
O4K Cl1K O2K 110.1(7) . . ?
O3K Cl1K O2K 108.8(7) . . ?
O5K Cl1K O2K 109.3(7) . . ?
O4L Cl1L O2L 112.2(15) . . ?
O4L Cl1L O5L 107.2(14) . . ?
O2L Cl1L O5L 112.0(13) . . ?
O4L Cl1L O3L 107.1(15) . . ?
O2L Cl1L O3L 115.3(15) . . ?
O5L Cl1L O3L 102.4(13) . . ?
O2M Cl1M O5M 112.3(16) . . ?
O2M Cl1M O4M 114.2(17) . . ?
O5M Cl1M O4M 107.9(16) . . ?
O2M Cl1M O3M 117.7(16) . . ?
O5M Cl1M O3M 110.4(16) . . ?
O4M Cl1M O3M 92.5(15) . . ?
O4O Cl1O O5O 113.1(16) . . ?
O4O Cl1O O2O 110.6(16) . . ?
O5O Cl1O O2O 110.1(16) . . ?
O4O Cl1O O3O 103.3(15) . . ?
O5O Cl1O O3O 111.2(16) . . ?
O2O Cl1O O3O 108.4(15) . . ?
O4P Cl1P O5P 114.8(16) . . ?
O4P Cl1P O2P 112.8(15) . . ?
O5P Cl1P O2P 107.7(16) . . ?
O4P Cl1P O3P 93.9(15) . . ?
O5P Cl1P O3P 115.8(16) . . ?
O2P Cl1P O3P 111.6(15) . . ?
O2Q Cl1Q O4Q 108.7(19) . . ?
O2Q Cl1Q O5Q 109.5(19) . . ?
O4Q Cl1Q O5Q 108.3(19) . . ?
O2Q Cl1Q O3Q 120(2) . . ?
O4Q Cl1Q O3Q 105.9(19) . . ?
O5Q Cl1Q O3Q 103.6(17) . . ?
O8K Cl6K O9K 111.7(7) . . ?
O8K Cl6K O7K 111.9(7) . . ?
O9K Cl6K O7K 112.0(7) . . ?
O8K Cl6K O10K 107.6(7) . . ?
O9K Cl6K O10K 108.1(7) . . ?
O7K Cl6K O10K 105.1(7) . . ?
O8L Cl6L O7L 116.9(15) . . ?
O8L Cl6L O10L 98.5(13) . . ?
O7L Cl6L O10L 101.5(13) . . ?
O8L Cl6L O9L 117.1(15) . . ?
O7L Cl6L O9L 117.2(15) . . ?
O10L Cl6L O9L 99.7(13) . . ?
O8M Cl6M O10M 97.0(15) . . ?
O8M Cl6M O7M 111.2(15) . . ?
O10M Cl6M O7M 108.1(16) . . ?
O8M Cl6M O9M 117.6(16) . . ?
O10M Cl6M O9M 107.7(15) . . ?
O7M Cl6M O9M 113.5(16) . . ?
O8O Cl6O O10O 92.9(14) . . ?
O8O Cl6O O7O 118.1(17) . . ?
O10O Cl6O O7O 103.5(15) . . ?
O8O Cl6O O9O 111.4(16) . . ?
O10O Cl6O O9O 107.3(16) . . ?
O7O Cl6O O9O 119.0(16) . . ?
O8P Cl6P O10P 101.6(15) . . ?
O8P Cl6P O7P 112.1(16) . . ?
O10P Cl6P O7P 110.5(16) . . ?
O8P Cl6P O9P 117.8(15) . . ?
O10P Cl6P O9P 106.5(15) . . ?
O7P Cl6P O9P 107.9(14) . . ?
O8Q Cl6Q O7Q 110.7(19) . . ?
O8Q Cl6Q O10Q 99.0(17) . . ?
O7Q Cl6Q O10Q 102.4(18) . . ?
O8Q Cl6Q O9Q 110.8(19) . . ?
O7Q Cl6Q O9Q 118.7(18) . . ?
O10Q Cl6Q O9Q 113.1(19) . . ?
O2N Cl1N O4N 117.8(12) . . ?
O2N Cl1N O3N 125.2(12) . . ?
O4N Cl1N O3N 103.6(12) . . ?
O2N Cl1N O5N 106.6(13) . . ?
O4N Cl1N O5N 97.0(13) . . ?
O3N Cl1N O5N 102.0(11) . . ?
O8N Cl6N O10N 105.0(18) . . ?
O8N Cl6N O7N 108.3(19) . . ?
O10N Cl6N O7N 105.9(19) . . ?
O8N Cl6N O9N 114.9(19) . . ?
O10N Cl6N O9N 100.6(18) . . ?
O7N Cl6N O9N 120(2) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pd1 N1A 2.009(9) . ?
Pd1 N1D 2.035(9) . ?
Pd1 N1B 2.040(10) . ?
Pd1 N1C 2.048(10) . ?
Pd2 N8A 1.972(10) . ?
Pd2 N1E 2.015(10) . ?
Pd2 N1F 2.022(9) . ?
Pd2 N8B 2.046(9) . ?
Pd3 N1H 2.022(11) . ?
Pd3 N1G 2.025(10) . ?
Pd3 N8F 2.026(10) . ?
Pd3 N8E 2.027(9) . ?
Pd4 N8D 2.013(11) . ?
Pd4 N8H 2.030(10) . ?
Pd4 N8C 2.029(9) . ?
Pd4 N8G 2.040(11) . ?
N1A C2A 1.296(12) . ?
N1A C6A 1.343(12) . ?
C2A C3A 1.412(14) . ?
C2A H2A 0.9500 . ?
C3A C4A 1.386(15) . ?
C3A H3A 0.9500 . ?
C4A C5A 1.356(14) . ?
C4A H4A 0.9500 . ?
C5A C6A 1.384(13) . ?
C5A Si7A 1.850(13) . ?
C6A H6A 0.9500 . ?
Si7A C12A 1.827(12) . ?
Si7A C14A 1.914(12) . ?
Si7A C15A 1.930(13) . ?
N8A C9A 1.317(12) . ?
N8A C13A 1.403(12) . ?
C9A C10A 1.361(14) . ?
C9A H9A 0.9500 . ?
C10A C11A 1.361(14) . ?
C10A H10A 0.9500 . ?
C11A C12A 1.425(14) . ?
C11A H11A 0.9500 . ?
C12A C13A 1.402(13) . ?
C13A H13A 0.9500 . ?
C14A H14A 0.9800 . ?
C14A H14B 0.9800 . ?
C14A H14C 0.9800 . ?
C15A C20A 1.458(15) . ?
C15A C16A 1.467(15) . ?
C15A H15A 1.0000 . ?
C16A C17A 1.605(17) . ?
C16A H16A 0.9900 . ?
C16A H16B 0.9900 . ?
C17A C18A 1.461(17) . ?
C17A H17A 0.9900 . ?
C17A H17B 0.9900 . ?
C18A C19A 1.540(17) . ?
C18A H18A 0.9900 . ?
C18A H18B 0.9900 . ?
C19A C20A 1.593(17) . ?
C19A H19A 0.9900 . ?
C19A H19B 0.9900 . ?
C20A H20A 0.9900 . ?
C20A H20B 0.9900 . ?
N1B C2B 1.308(13) . ?
N1B C6B 1.338(12) . ?
C2B C3B 1.401(15) . ?
C2B H2B 0.9500 . ?
C3B C4B 1.437(16) . ?
C3B H3B 0.9500 . ?
C4B C5B 1.336(14) . ?
C4B H4B 0.9500 . ?
C5B C6B 1.321(14) . ?
C5B Si7B 1.893(13) . ?
C6B H6B 0.9500 . ?
Si7B C15B 1.818(12) . ?
Si7B C14B 1.843(10) . ?
Si7B C12B 1.904(13) . ?
N8B C9B 1.309(12) . ?
N8B C13B 1.385(12) . ?
C9B C10B 1.346(14) . ?
C9B H9B 0.9500 . ?
C10B C11B 1.389(15) . ?
C10B H10B 0.9500 . ?
C11B C12B 1.373(14) . ?
C11B H11B 0.9500 . ?
C12B C13B 1.401(13) . ?
C13B H13B 0.9500 . ?
C14B H14D 0.9800 . ?
C14B H14E 0.9800 . ?
C14B H14F 0.9800 . ?
C15B C20B 1.460(15) . ?
C15B C16B 1.528(15) . ?
C15B H15B 1.0000 . ?
C16B C17B 1.532(16) . ?
C16B H16C 0.9900 . ?
C16B H16D 0.9900 . ?
C17B C18B 1.415(17) . ?
C17B H17C 0.9900 . ?
C17B H17D 0.9900 . ?
C18B C19B 1.565(17) . ?
C18B H18C 0.9900 . ?
C18B H18D 0.9900 . ?
C19B C20B 1.538(14) . ?
C19B H19C 0.9900 . ?
C19B H19D 0.9900 . ?
C20B H20C 0.9900 . ?
C20B H20D 0.9900 . ?
N1C C2C 1.329(13) . ?
N1C C6C 1.351(13) . ?
C2C C3C 1.341(14) . ?
C2C H2C 0.9500 . ?
C3C C4C 1.365(14) . ?
C3C H3C 0.9500 . ?
C4C C5C 1.431(14) . ?
C4C H4C 0.9500 . ?
C5C C6C 1.355(14) . ?
C5C Si7C 1.848(13) . ?
C6C H6C 0.9500 . ?
Si7C C14C 1.804(11) . ?
Si7C C15C 1.845(12) . ?
Si7C C12C 1.891(13) . ?
N8C C13C 1.284(12) . ?
N8C C9C 1.298(13) . ?
C9C C10C 1.434(15) . ?
C9C H9C 0.9500 . ?
C10C C11C 1.342(14) . ?
C10C H10C 0.9500 . ?
C11C C12C 1.385(14) . ?
C11C H11C 0.9500 . ?
C12C C13C 1.409(14) . ?
C13C H13C 0.9500 . ?
C14C H14G 0.9800 . ?
C14C H14H 0.9800 . ?
C14C H14I 0.9800 . ?
C15C C16C 1.549(14) . ?
C15C C20C 1.657(16) . ?
C15C H15C 1.0000 . ?
C16C C17C 1.508(15) . ?
C16C H16E 0.9900 . ?
C16C H16F 0.9900 . ?
C17C C18C 1.487(16) . ?
C17C H17E 0.9900 . ?
C17C H17F 0.9900 . ?
C18C C19C 1.508(16) . ?
C18C H18E 0.9900 . ?
C18C H18F 0.9900 . ?
C19C C20C 1.531(15) . ?
C19C H19E 0.9900 . ?
C19C H19F 0.9900 . ?
C20C H20X 0.9900 . ?
C20C H20Y 0.9900 . ?
N1D C2D 1.296(12) . ?
N1D C6D 1.299(12) . ?
C2D C3D 1.422(14) . ?
C2D H2D 0.9500 . ?
C3D C4D 1.392(14) . ?
C3D H3D 0.9500 . ?
C4D C5D 1.388(14) . ?
C4D H4D 0.9500 . ?
C5D C6D 1.424(14) . ?
C5D Si7D 1.858(13) . ?
C6D H6D 0.9500 . ?
Si7D C12D 1.839(12) . ?
Si7D C15D 1.897(12) . ?
Si7D C14D 1.902(11) . ?
N8D C9D 1.302(13) . ?
N8D C13D 1.342(12) . ?
C9D C10D 1.404(15) . ?
C9D H9D 0.9500 . ?
C10D C11D 1.389(14) . ?
C10D H10D 0.9500 . ?
C11D C12D 1.405(14) . ?
C11D H11D 0.9500 . ?
C12D C13D 1.419(14) . ?
C13D H13D 0.9500 . ?
C14D H14J 0.9800 . ?
C14D H14K 0.9800 . ?
C14D H14L 0.9800 . ?
C15D C20D 1.432(14) . ?
C15D C16D 1.502(15) . ?
C15D H15D 1.0000 . ?
C16D C17D 1.634(16) . ?
C16D H16G 0.9900 . ?
C16D H16H 0.9900 . ?
C17D C18D 1.489(17) . ?
C17D H17G 0.9900 . ?
C17D H17H 0.9900 . ?
C18D C19D 1.483(16) . ?
C18D H18G 0.9900 . ?
C18D H18H 0.9900 . ?
C19D C20D 1.597(16) . ?
C19D H19G 0.9900 . ?
C19D H19H 0.9900 . ?
C20D H20E 0.9900 . ?
C20D H20F 0.9900 . ?
N1E C2E 1.345(13) . ?
N1E C6E 1.418(12) . ?
C2E C3E 1.360(14) . ?
C2E H2E 0.9500 . ?
C3E C4E 1.370(14) . ?
C3E H3E 0.9500 . ?
C4E C5E 1.446(14) . ?
C4E H4E 0.9500 . ?
C5E C6E 1.371(13) . ?
C5E Si7E 1.905(12) . ?
C6E H6E 0.9500 . ?
Si7E C12E 1.822(12) . ?
Si7E C14E 1.852(11) . ?
Si7E C15E 1.855(11) . ?
N8E C9E 1.354(12) . ?
N8E C13E 1.375(13) . ?
C9E C10E 1.361(14) . ?
C9E H9E 0.9500 . ?
C10E C11E 1.307(14) . ?
C10E H10E 0.9500 . ?
C11E C12E 1.453(14) . ?
C11E H11E 0.9500 . ?
C12E C13E 1.340(13) . ?
C13E H13E 0.9500 . ?
C14E H14M 0.9800 . ?
C14E H14N 0.9800 . ?
C14E H14O 0.9800 . ?
C15E C20E 1.506(14) . ?
C15E C16E 1.514(15) . ?
C15E H15E 1.0000 . ?
C16E C17E 1.582(15) . ?
C16E H16I 0.9900 . ?
C16E H16J 0.9900 . ?
C17E C18E 1.452(15) . ?
C17E H17I 0.9900 . ?
C17E H17J 0.9900 . ?
C18E C19E 1.467(16) . ?
C18E H18I 0.9900 . ?
C18E H18J 0.9900 . ?
C19E C20E 1.578(15) . ?
C19E H19I 0.9900 . ?
C19E H19J 0.9900 . ?
C20E H20G 0.9900 . ?
C20E H20H 0.9900 . ?
N1F C2F 1.306(12) . ?
N1F C6F 1.396(13) . ?
C2F C3F 1.379(14) . ?
C2F H2F 0.9500 . ?
C3F C4F 1.431(15) . ?
C3F H3F 0.9500 . ?
C4F C5F 1.430(14) . ?
C4F H4F 0.9500 . ?
C5F C6F 1.382(14) . ?
C5F Si7F 1.830(13) . ?
C6F H6F 0.9500 . ?
Si7F C14F 1.837(11) . ?
Si7F C15F 1.893(11) . ?
Si7F C12F 1.894(13) . ?
N8F C9F 1.329(13) . ?
N8F C13F 1.368(12) . ?
C9F C10F 1.386(15) . ?
C9F H9F 0.9500 . ?
C10F C11F 1.398(15) . ?
C10F H10F 0.9500 . ?
C11F C12F 1.410(14) . ?
C11F H11F 0.9500 . ?
C12F C13F 1.403(14) . ?
C13F H13F 0.9500 . ?
C14F H14P 0.9800 . ?
C14F H14Q 0.9800 . ?
C14F H14R 0.9800 . ?
C15F C20F 1.510(14) . ?
C15F C16F 1.628(15) . ?
C15F H15F 1.0000 . ?
C16F C17F 1.533(14) . ?
C16F H16K 0.9900 . ?
C16F H16L 0.9900 . ?
C17F C18F 1.463(15) . ?
C17F H17K 0.9900 . ?
C17F H17L 0.9900 . ?
C18F C19F 1.533(16) . ?
C18F H18K 0.9900 . ?
C18F H18L 0.9900 . ?
C19F C20F 1.639(15) . ?
C19F H19K 0.9900 . ?
C19F H19L 0.9900 . ?
C20F H20I 0.9900 . ?
C20F H20J 0.9900 . ?
N1G C2G 1.306(13) . ?
N1G C6G 1.316(12) . ?
C2G C3G 1.383(14) . ?
C2G H2G 0.9500 . ?
C3G C4G 1.352(15) . ?
C3G H3G 0.9500 . ?
C4G C5G 1.361(15) . ?
C4G H4G 0.9500 . ?
C5G C6G 1.459(15) . ?
C5G Si7G 1.931(14) . ?
C6G H6G 0.9500 . ?
Si7G C15G 1.868(15) . ?
Si7G C14G 1.868(12) . ?
Si7G C12G 1.867(14) . ?
N8G C9G 1.267(13) . ?
N8G C13G 1.360(13) . ?
C9G C10G 1.457(17) . ?
C9G H9G 0.9500 . ?
C10G C11G 1.384(16) . ?
C10G H10G 0.9500 . ?
C11G C12G 1.375(15) . ?
C11G H11G 0.9500 . ?
C12G C13G 1.359(15) . ?
C13G H13G 0.9500 . ?
C14G H14S 0.9800 . ?
C14G H14T 0.9800 . ?
C14G H14U 0.9800 . ?
C15G C20G 1.436(16) . ?
C15G C16G 1.483(17) . ?
C15G H15G 1.0000 . ?
C16G C17G 1.543(16) . ?
C16G H16M 0.9900 . ?
C16G H16N 0.9900 . ?
C17G C18G 1.404(17) . ?
C17G H17M 0.9900 . ?
C17G H17N 0.9900 . ?
C18G C19G 1.524(19) . ?
C18G H18M 0.9900 . ?
C18G H18N 0.9900 . ?
C19G C20G 1.589(16) . ?
C19G H19M 0.9900 . ?
C19G H19N 0.9900 . ?
C20G H20K 0.9900 . ?
C20G H20L 0.9900 . ?
N1H C2H 1.297(14) . ?
N1H C6H 1.328(13) . ?
C2H C3H 1.363(15) . ?
C2H H2H 0.9500 . ?
C3H C4H 1.389(15) . ?
C3H H3H 0.9500 . ?
C4H C5H 1.351(16) . ?
C4H H4H 0.9500 . ?
C5H C6H 1.367(15) . ?
C5H Si7H 1.845(14) . ?
C6H H6H 0.9500 . ?
Si7H C12H 1.821(14) . ?
Si7H C15H 1.846(15) . ?
Si7H C14H 1.923(12) . ?
N8H C13H 1.328(13) . ?
N8H C9H 1.348(13) . ?
C9H C10H 1.359(14) . ?
C9H H9H 0.9500 . ?
C10H C11H 1.373(15) . ?
C10H H10H 0.9500 . ?
C11H C12H 1.392(15) . ?
C11H H11H 0.9500 . ?
C12H C13H 1.392(14) . ?
C13H H13H 0.9500 . ?
C14H H14V 0.9800 . ?
C14H H14W 0.9800 . ?
C14H H14$ 0.9800 . ?
C15H C16H 1.470(17) . ?
C15H C20H 1.472(17) . ?
C15H H15H 1.0000 . ?
C16H C17H 1.563(18) . ?
C16H H16O 0.9900 . ?
C16H H16P 0.9900 . ?
C17H C18H 1.520(18) . ?
C17H H17O 0.9900 . ?
C17H H17P 0.9900 . ?
C18H C19H 1.540(18) . ?
C18H H18O 0.9900 . ?
C18H H18P 0.9900 . ?
C19H C20H 1.694(19) . ?
C19H H19O 0.9900 . ?
C19H H19P 0.9900 . ?
C20H H20M 0.9900 . ?
C20H H20N 0.9900 . ?
Cl1K O4K 1.489(8) . ?
Cl1K O3K 1.493(8) . ?
Cl1K O5K 1.500(8) . ?
Cl1K O2K 1.507(8) . ?
Cl1L O4L 1.433(15) . ?
Cl1L O2L 1.439(15) . ?
Cl1L O5L 1.473(15) . ?
Cl1L O3L 1.484(15) . ?
Cl1M O2M 1.411(15) . ?
Cl1M O5M 1.445(15) . ?
Cl1M O4M 1.462(15) . ?
Cl1M O3M 1.503(15) . ?
Cl1O O4O 1.402(15) . ?
Cl1O O5O 1.453(15) . ?
Cl1O O2O 1.462(15) . ?
Cl1O O3O 1.496(15) . ?
Cl1P O4P 1.425(15) . ?
Cl1P O5P 1.437(15) . ?
Cl1P O2P 1.452(15) . ?
Cl1P O3P 1.494(15) . ?
Cl1Q O2Q 1.419(16) . ?
Cl1Q O4Q 1.441(16) . ?
Cl1Q O5Q 1.471(16) . ?
Cl1Q O3Q 1.503(16) . ?
Cl6K O8K 1.480(8) . ?
Cl6K O9K 1.490(8) . ?
Cl6K O7K 1.512(8) . ?
Cl6K O10K 1.531(8) . ?
Cl6L O8L 1.445(14) . ?
Cl6L O7L 1.482(15) . ?
Cl6L O10L 1.505(15) . ?
Cl6L O9L 1.513(15) . ?
Cl6M O8M 1.438(15) . ?
Cl6M O10M 1.472(16) . ?
Cl6M O7M 1.522(15) . ?
Cl6M O9M 1.510(15) . ?
Cl6O O8O 1.446(15) . ?
Cl6O O10O 1.481(16) . ?
Cl6O O7O 1.483(15) . ?
Cl6O O9O 1.487(16) . ?
Cl6P O8P 1.443(15) . ?
Cl6P O10P 1.484(15) . ?
Cl6P O7P 1.513(15) . ?
Cl6P O9P 1.526(15) . ?
Cl6Q O8Q 1.466(16) . ?
Cl6Q O7Q 1.479(16) . ?
Cl6Q O10Q 1.490(17) . ?
Cl6Q O9Q 1.506(16) . ?
Cl1N O2N 1.359(13) . ?
Cl1N O4N 1.380(14) . ?
Cl1N O3N 1.501(13) . ?
Cl1N O5N 1.538(14) . ?
Cl6N O8N 1.456(16) . ?
Cl6N O10N 1.474(17) . ?
Cl6N O7N 1.479(17) . ?
Cl6N O9N 1.487(16) . ?
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
C6A N1A C2A C3A -6.4(19) . . . . ?
Pd1 N1A C2A C3A 179.5(10) . . . . ?
N1A C2A C3A C4A 7(2) . . . . ?
C2A C3A C4A C5A -5(2) . . . . ?
C3A C4A C5A C6A 2(2) . . . . ?
C3A C4A C5A Si7A -176.3(11) . . . . ?
C2A N1A C6A C5A 3.8(19) . . . . ?
Pd1 N1A C6A C5A 177.7(9) . . . . ?
C4A C5A C6A N1A -1.8(19) . . . . ?
Si7A C5A C6A N1A 176.8(9) . . . . ?
C4A C5A Si7A C12A -148.0(12) . . . . ?
C6A C5A Si7A C12A 33.5(12) . . . . ?
C4A C5A Si7A C14A -30.4(13) . . . . ?
C6A C5A Si7A C14A 151.0(10) . . . . ?
C4A C5A Si7A C15A 93.7(12) . . . . ?
C6A C5A Si7A C15A -84.9(12) . . . . ?
C13A N8A C9A C10A -3.0(17) . . . . ?
Pd2 N8A C9A C10A 176.2(10) . . . . ?
N8A C9A C10A C11A 3(2) . . . . ?
C9A C10A C11A C12A -3(2) . . . . ?
C10A C11A C12A C13A 3.5(18) . . . . ?
C10A C11A C12A Si7A 175.8(10) . . . . ?
C5A Si7A C12A C13A -103.2(10) . . . . ?
C14A Si7A C12A C13A 140.9(10) . . . . ?
C15A Si7A C12A C13A 13.6(12) . . . . ?
C5A Si7A C12A C11A 85.4(11) . . . . ?
C14A Si7A C12A C11A -30.6(12) . . . . ?
C15A Si7A C12A C11A -157.8(10) . . . . ?
C11A C12A C13A N8A -4.2(16) . . . . ?
Si7A C12A C13A N8A -176.4(8) . . . . ?
C9A N8A C13A C12A 4.0(16) . . . . ?
Pd2 N8A C13A C12A -175.3(8) . . . . ?
C20A C15A C16A C17A -54.6(17) . . . . ?
Si7A C15A C16A C17A -177.0(9) . . . . ?
C15A C16A C17A C18A 59.0(17) . . . . ?
C16A C17A C18A C19A -61.1(17) . . . . ?
C17A C18A C19A C20A 60.8(17) . . . . ?
C16A C15A C20A C19A 56.9(17) . . . . ?
Si7A C15A C20A C19A 179.1(9) . . . . ?
C18A C19A C20A C15A -59.8(17) . . . . ?
C6B N1B C2B C3B -0.3(19) . . . . ?
Pd1 N1B C2B C3B 176.6(10) . . . . ?
N1B C2B C3B C4B 0(2) . . . . ?
C2B C3B C4B C5B 1(2) . . . . ?
C3B C4B C5B C6B -1(2) . . . . ?
C3B C4B C5B Si7B 174.9(10) . . . . ?
C4B C5B C6B N1B 0(2) . . . . ?
Si7B C5B C6B N1B -175.1(9) . . . . ?
C2B N1B C6B C5B 0.6(19) . . . . ?
Pd1 N1B C6B C5B -176.3(10) . . . . ?
C6B C5B Si7B C15B 25.9(14) . . . . ?
C4B C5B Si7B C15B -149.3(10) . . . . ?
C6B C5B Si7B C14B 149.3(11) . . . . ?
C4B C5B Si7B C14B -25.9(12) . . . . ?
C6B C5B Si7B C12B -90.5(12) . . . . ?
C4B C5B Si7B C12B 94.3(11) . . . . ?
C13B N8B C9B C10B 1.0(18) . . . . ?
Pd2 N8B C9B C10B -175.5(9) . . . . ?
N8B C9B C10B C11B -2.7(19) . . . . ?
C9B C10B C11B C12B 1.1(19) . . . . ?
C10B C11B C12B C13B 2.0(18) . . . . ?
C10B C11B C12B Si7B 177.6(9) . . . . ?
C9B N8B C13B C12B 2.2(17) . . . . ?
Pd2 N8B C13B C12B 178.7(8) . . . . ?
C11B C12B C13B N8B -3.7(17) . . . . ?
Si7B C12B C13B N8B -179.2(8) . . . . ?
C14B Si7B C15B C20B 164.7(11) . . . . ?
C5B Si7B C15B C20B -70.1(14) . . . . ?
C12B Si7B C15B C20B 48.9(13) . . . . ?
C14B Si7B C15B C16B -63.0(11) . . . . ?
C5B Si7B C15B C16B 62.2(11) . . . . ?
C12B Si7B C15B C16B -178.7(10) . . . . ?
C20B C15B C16B C17B -56.7(16) . . . . ?
Si7B C15B C16B C17B 166.6(10) . . . . ?
C15B C16B C17B C18B 61.4(19) . . . . ?
C16B C17B C18B C19B -58.8(19) . . . . ?
C17B C18B C19B C20B 55.7(18) . . . . ?
C16B C15B C20B C19B 54.3(17) . . . . ?
Si7B C15B C20B C19B -171.0(10) . . . . ?
C18B C19B C20B C15B -54.6(17) . . . . ?
C6C N1C C2C C3C 6.4(19) . . . . ?
Pd1 N1C C2C C3C -177.3(10) . . . . ?
N1C C2C C3C C4C -6(2) . . . . ?
C2C C3C C4C C5C 4.2(19) . . . . ?
C3C C4C C5C C6C -3.7(17) . . . . ?
C3C C4C C5C Si7C 171.7(9) . . . . ?
C2C N1C C6C C5C -5.9(17) . . . . ?
Pd1 N1C C6C C5C 177.7(9) . . . . ?
C4C C5C C6C N1C 4.6(18) . . . . ?
Si7C C5C C6C N1C -170.8(8) . . . . ?
C6C C5C Si7C C14C -25.9(12) . . . . ?
C4C C5C Si7C C14C 159.0(10) . . . . ?
C6C C5C Si7C C15C 100.3(11) . . . . ?
C4C C5C Si7C C15C -74.8(11) . . . . ?
C6C C5C Si7C C12C -141.9(10) . . . . ?
C4C C5C Si7C C12C 43.0(11) . . . . ?
C13C N8C C9C C10C 0.3(19) . . . . ?
Pd4 N8C C9C C10C -165.4(9) . . . . ?
N8C C9C C10C C11C -1(2) . . . . ?
C9C C10C C11C C12C 2(2) . . . . ?
C10C C11C C12C C13C -2.2(19) . . . . ?
C10C C11C C12C Si7C 174.1(10) . . . . ?
C14C Si7C C12C C11C 135.9(11) . . . . ?
C15C Si7C C12C C11C 7.6(13) . . . . ?
C5C Si7C C12C C11C -106.7(11) . . . . ?
C14C Si7C C12C C13C -47.9(11) . . . . ?
C15C Si7C C12C C13C -176.2(10) . . . . ?
C5C Si7C C12C C13C 69.5(11) . . . . ?
C9C N8C C13C C12C 0(2) . . . . ?
Pd4 N8C C13C C12C 164.9(9) . . . . ?
C11C C12C C13C N8C 1.3(19) . . . . ?
Si7C C12C C13C N8C -175.1(10) . . . . ?
C14C Si7C C15C C16C -53.0(12) . . . . ?
C5C Si7C C15C C16C -174.7(10) . . . . ?
C12C Si7C C15C C16C 70.1(11) . . . . ?
C14C Si7C C15C C20C 71.4(10) . . . . ?
C5C Si7C C15C C20C -50.3(11) . . . . ?
C12C Si7C C15C C20C -165.5(9) . . . . ?
C20C C15C C16C C17C 49.7(16) . . . . ?
Si7C C15C C16C C17C 176.2(11) . . . . ?
C15C C16C C17C C18C -52.9(19) . . . . ?
C16C C17C C18C C19C 51(2) . . . . ?
C17C C18C C19C C20C -52.2(18) . . . . ?
C18C C19C C20C C15C 53.9(17) . . . . ?
C16C C15C C20C C19C -51.5(15) . . . . ?
Si7C C15C C20C C19C 179.6(10) . . . . ?
C6D N1D C2D C3D 10.2(19) . . . . ?
Pd1 N1D C2D C3D -162.6(9) . . . . ?
N1D C2D C3D C4D -7.6(19) . . . . ?
C2D C3D C4D C5D 2.2(18) . . . . ?
C3D C4D C5D C6D 0.0(17) . . . . ?
C3D C4D C5D Si7D 178.7(9) . . . . ?
C2D N1D C6D C5D -7.8(18) . . . . ?
Pd1 N1D C6D C5D 164.9(8) . . . . ?
C4D C5D C6D N1D 2.7(18) . . . . ?
Si7D C5D C6D N1D -176.0(9) . . . . ?
C4D C5D Si7D C12D -111.5(10) . . . . ?
C6D C5D Si7D C12D 67.2(10) . . . . ?
C4D C5D Si7D C15D 4.1(12) . . . . ?
C6D C5D Si7D C15D -177.2(9) . . . . ?
C4D C5D Si7D C14D 129.8(10) . . . . ?
C6D C5D Si7D C14D -51.5(10) . . . . ?
C13D N8D C9D C10D -3.9(18) . . . . ?
Pd4 N8D C9D C10D 177.6(9) . . . . ?
N8D C9D C10D C11D 3.6(19) . . . . ?
C9D C10D C11D C12D -1.8(18) . . . . ?
C10D C11D C12D C13D 0.6(17) . . . . ?
C10D C11D C12D Si7D 171.8(9) . . . . ?
C5D Si7D C12D C11D 42.1(12) . . . . ?
C15D Si7D C12D C11D -77.1(11) . . . . ?
C14D Si7D C12D C11D 159.8(10) . . . . ?
C5D Si7D C12D C13D -147.5(10) . . . . ?
C15D Si7D C12D C13D 93.4(11) . . . . ?
C14D Si7D C12D C13D -29.8(11) . . . . ?
C9D N8D C13D C12D 2.7(17) . . . . ?
Pd4 N8D C13D C12D -178.8(9) . . . . ?
C11D C12D C13D N8D -1.0(17) . . . . ?
Si7D C12D C13D N8D -172.3(9) . . . . ?
C12D Si7D C15D C20D -171.0(11) . . . . ?
C5D Si7D C15D C20D 74.0(12) . . . . ?
C14D Si7D C15D C20D -49.4(12) . . . . ?
C12D Si7D C15D C16D -51.6(12) . . . . ?
C5D Si7D C15D C16D -166.7(10) . . . . ?
C14D Si7D C15D C16D 69.9(12) . . . . ?
C20D C15D C16D C17D -63.0(16) . . . . ?
Si7D C15D C16D C17D 175.2(10) . . . . ?
C15D C16D C17D C18D 62.7(17) . . . . ?
C16D C17D C18D C19D -59.6(17) . . . . ?
C17D C18D C19D C20D 57.4(19) . . . . ?
C16D C15D C20D C19D 59.2(16) . . . . ?
Si7D C15D C20D C19D 179.5(10) . . . . ?
C18D C19D C20D C15D -56.9(18) . . . . ?
C6E N1E C2E C3E 4.0(17) . . . . ?
Pd2 N1E C2E C3E 179.4(9) . . . . ?
N1E C2E C3E C4E -2.4(19) . . . . ?
C2E C3E C4E C5E 1.9(17) . . . . ?
C3E C4E C5E C6E -3.1(17) . . . . ?
C3E C4E C5E Si7E 175.4(9) . . . . ?
C4E C5E C6E N1E 4.6(15) . . . . ?
Si7E C5E C6E N1E -173.9(7) . . . . ?
C2E N1E C6E C5E -5.0(15) . . . . ?
Pd2 N1E C6E C5E 179.2(7) . . . . ?
C13E N8E C9E C10E -3.1(17) . . . . ?
Pd3 N8E C9E C10E -175.7(9) . . . . ?
N8E C9E C10E C11E 2.7(19) . . . . ?
C9E C10E C11E C12E -1(2) . . . . ?
C10E C11E C12E C13E -0.1(18) . . . . ?
C10E C11E C12E Si7E 178.0(11) . . . . ?
C14E Si7E C12E C13E -55.3(11) . . . . ?
C15E Si7E C12E C13E 178.5(9) . . . . ?
C5E Si7E C12E C13E 61.7(11) . . . . ?
C14E Si7E C12E C11E 126.8(10) . . . . ?
C15E Si7E C12E C11E 0.6(12) . . . . ?
C5E Si7E C12E C11E -116.1(10) . . . . ?
C11E C12E C13E N8E -0.3(17) . . . . ?
Si7E C12E C13E N8E -178.5(9) . . . . ?
C9E N8E C13E C12E 1.9(18) . . . . ?
Pd3 N8E C13E C12E 174.5(9) . . . . ?
C12E Si7E C15E C20E 68.3(11) . . . . ?
C14E Si7E C15E C20E -54.5(11) . . . . ?
C5E Si7E C15E C20E -174.8(10) . . . . ?
C12E Si7E C15E C16E -164.6(9) . . . . ?
C14E Si7E C15E C16E 72.6(11) . . . . ?
C5E Si7E C15E C16E -47.7(11) . . . . ?
C20E C15E C16E C17E -53.8(16) . . . . ?
Si7E C15E C16E C17E 177.4(9) . . . . ?
C15E C16E C17E C18E 54.7(17) . . . . ?
C16E C17E C18E C19E -56.4(18) . . . . ?
C17E C18E C19E C20E 57.4(18) . . . . ?
C16E C15E C20E C19E 52.0(15) . . . . ?
Si7E C15E C20E C19E 179.7(9) . . . . ?
C18E C19E C20E C15E -53.6(17) . . . . ?
C6F N1F C2F C3F 3.9(19) . . . . ?
Pd2 N1F C2F C3F -166.5(10) . . . . ?
N1F C2F C3F C4F -2(2) . . . . ?
C2F C3F C4F C5F 0(2) . . . . ?
C3F C4F C5F C6F 1.1(18) . . . . ?
C3F C4F C5F Si7F 178.7(10) . . . . ?
C4F C5F C6F N1F 0.6(17) . . . . ?
Si7F C5F C6F N1F -177.0(8) . . . . ?
C2F N1F C6F C5F -3.2(18) . . . . ?
Pd2 N1F C6F C5F 167.5(8) . . . . ?
C6F C5F Si7F C14F -46.6(11) . . . . ?
C4F C5F Si7F C14F 136.0(10) . . . . ?
C6F C5F Si7F C15F -174.5(9) . . . . ?
C4F C5F Si7F C15F 8.1(12) . . . . ?
C6F C5F Si7F C12F 69.2(11) . . . . ?
C4F C5F Si7F C12F -108.3(11) . . . . ?
C13F N8F C9F C10F 1.2(19) . . . . ?
Pd3 N8F C9F C10F 179.9(10) . . . . ?
N8F C9F C10F C11F -1(2) . . . . ?
C9F C10F C11F C12F 1.6(19) . . . . ?
C10F C11F C12F C13F -3.1(18) . . . . ?
C10F C11F C12F Si7F 172.8(10) . . . . ?
C5F Si7F C12F C13F -140.7(10) . . . . ?
C14F Si7F C12F C13F -26.2(11) . . . . ?
C15F Si7F C12F C13F 99.6(10) . . . . ?
C5F Si7F C12F C11F 43.3(12) . . . . ?
C14F Si7F C12F C11F 157.8(10) . . . . ?
C15F Si7F C12F C11F -76.3(12) . . . . ?
C9F N8F C13F C12F -2.8(17) . . . . ?
Pd3 N8F C13F C12F 178.4(8) . . . . ?
C11F C12F C13F N8F 3.7(17) . . . . ?
Si7F C12F C13F N8F -172.5(8) . . . . ?
C5F Si7F C15F C20F 66.3(11) . . . . ?
C14F Si7F C15F C20F -57.2(11) . . . . ?
C12F Si7F C15F C20F -179.2(10) . . . . ?
C5F Si7F C15F C16F -166.9(8) . . . . ?
C14F Si7F C15F C16F 69.6(10) . . . . ?
C12F Si7F C15F C16F -52.3(10) . . . . ?
C20F C15F C16F C17F -53.9(15) . . . . ?
Si7F C15F C16F C17F -178.7(9) . . . . ?
C15F C16F C17F C18F 53.9(16) . . . . ?
C16F C17F C18F C19F -55.9(18) . . . . ?
C17F C18F C19F C20F 54.7(18) . . . . ?
C16F C15F C20F C19F 52.1(14) . . . . ?
Si7F C15F C20F C19F 175.6(9) . . . . ?
C18F C19F C20F C15F -53.0(16) . . . . ?
C6G N1G C2G C3G -0.2(19) . . . . ?
Pd3 N1G C2G C3G 178.1(9) . . . . ?
N1G C2G C3G C4G 3.3(19) . . . . ?
C2G C3G C4G C5G -2(2) . . . . ?
C3G C4G C5G C6G -1(2) . . . . ?
C3G C4G C5G Si7G -175.5(10) . . . . ?
C2G N1G C6G C5G -3.4(18) . . . . ?
Pd3 N1G C6G C5G 178.3(8) . . . . ?
C4G C5G C6G N1G 4.0(18) . . . . ?
Si7G C5G C6G N1G 178.7(9) . . . . ?
C13G N8G C9G C10G -1(2) . . . . ?
Pd4 N8G C9G C10G -179.8(10) . . . . ?
N8G C9G C10G C11G -2(2) . . . . ?
C9G C10G C11G C12G 3(2) . . . . ?
C10G C11G C12G C13G -2(2) . . . . ?
C10G C11G C12G Si7G 174.7(10) . . . . ?
C15G Si7G C12G C13G 28.7(13) . . . . ?
C14G Si7G C12G C13G 151.9(11) . . . . ?
C5G Si7G C12G C13G -90.5(12) . . . . ?
C15G Si7G C12G C11G -148.2(10) . . . . ?
C14G Si7G C12G C11G -25.0(12) . . . . ?
C5G Si7G C12G C11G 92.6(11) . . . . ?
C9G N8G C13G C12G 2(2) . . . . ?
Pd4 N8G C13G C12G -179.4(9) . . . . ?
C11G C12G C13G N8G 0(2) . . . . ?
Si7G C12G C13G N8G -176.6(9) . . . . ?
C14G Si7G C15G C20G 165.9(13) . . . . ?
C12G Si7G C15G C20G -71.1(15) . . . . ?
C5G Si7G C15G C20G 49.4(16) . . . . ?
C14G Si7G C15G C16G -63.3(13) . . . . ?
C12G Si7G C15G C16G 59.8(13) . . . . ?
C5G Si7G C15G C16G -179.7(11) . . . . ?
C20G C15G C16G C17G -59.8(18) . . . . ?
Si7G C15G C16G C17G 164.8(10) . . . . ?
C15G C16G C17G C18G 57(2) . . . . ?
C16G C17G C18G C19G -62(2) . . . . ?
C17G C18G C19G C20G 65.0(19) . . . . ?
C16G C15G C20G C19G 62.3(18) . . . . ?
Si7G C15G C20G C19G -164.1(11) . . . . ?
C18G C19G C20G C15G -61.9(18) . . . . ?
C6H N1H C2H C3H -4(2) . . . . ?
Pd3 N1H C2H C3H 177.5(10) . . . . ?
N1H C2H C3H C4H 3(2) . . . . ?
C2H C3H C4H C5H -2(2) . . . . ?
C3H C4H C5H C6H 3(2) . . . . ?
C3H C4H C5H Si7H 178.2(10) . . . . ?
C2H N1H C6H C5H 4(2) . . . . ?
Pd3 N1H C6H C5H -176.9(10) . . . . ?
C4H C5H C6H N1H -4(2) . . . . ?
Si7H C5H C6H N1H -179.3(10) . . . . ?
C4H C5H Si7H C12H 88.1(13) . . . . ?
C6H C5H Si7H C12H -96.8(12) . . . . ?
C4H C5H Si7H C15H -156.2(12) . . . . ?
C6H C5H Si7H C15H 18.9(14) . . . . ?
C4H C5H Si7H C14H -33.1(14) . . . . ?
C6H C5H Si7H C14H 141.9(11) . . . . ?
C13H N8H C9H C10H -9.1(19) . . . . ?
Pd4 N8H C9H C10H 172.6(10) . . . . ?
N8H C9H C10H C11H 9(2) . . . . ?
C9H C10H C11H C12H -4(2) . . . . ?
C10H C11H C12H C13H -1(2) . . . . ?
C10H C11H C12H Si7H -179.1(11) . . . . ?
C15H Si7H C12H C11H 85.4(13) . . . . ?
C5H Si7H C12H C11H -155.2(12) . . . . ?
C14H Si7H C12H C11H -37.4(14) . . . . ?
C15H Si7H C12H C13H -92.3(13) . . . . ?
C5H Si7H C12H C13H 27.0(14) . . . . ?
C14H Si7H C12H C13H 144.9(12) . . . . ?
C9H N8H C13H C12H 4(2) . . . . ?
Pd4 N8H C13H C12H -177.7(10) . . . . ?
C11H C12H C13H N8H 1(2) . . . . ?
Si7H C12H C13H N8H 178.9(10) . . . . ?
C12H Si7H C15H C16H -54.7(14) . . . . ?
C5H Si7H C15H C16H -171.2(12) . . . . ?
C14H Si7H C15H C16H 68.4(15) . . . . ?
C12H Si7H C15H C20H -174.4(11) . . . . ?
C5H Si7H C15H C20H 69.1(13) . . . . ?
C14H Si7H C15H C20H -51.2(13) . . . . ?
C20H C15H C16H C17H -59(2) . . . . ?
Si7H C15H C16H C17H -179.7(12) . . . . ?
C15H C16H C17H C18H 63(2) . . . . ?
C16H C17H C18H C19H -63.9(19) . . . . ?
C17H C18H C19H C20H 62.9(18) . . . . ?
C16H C15H C20H C19H 59.6(18) . . . . ?
Si7H C15H C20H C19H -175.2(10) . . . . ?
C18H C19H C20H C15H -64.6(18) . . . . ?
