#------------------------------------------------------------------------------
#$Date: 2024-12-06 21:04:16 +0100 (Fri 06 de Dec de 2024) $
#$Revision: 296615 $
#$URL: svn://www.crystallography.net/cod/cif/1/57/27/1572729.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_1572729
loop_
_publ_author_name
'Bilyachenko, Alexey N.'
'Khrustalev, Victor N.'
'Huang, Zhibin'
'Dubinina, Kristina D.'
'Shubina, Elena S.'
'Lobanov, Nikolai N.'
'Sun, Di'
'Alegria, Elisabete C. B. A.'
'Pombeiro, Armando J. L.'
_publ_section_title
;
 An ionic
 Cu₉Na₄-phenylsilsesquioxane/bis(triphenylphosphine)iminium
 complex: synthesis, unique structure, and catalytic activity.
;
_journal_issue                   41
_journal_name_full               Nanoscale
_journal_page_first              19266
_journal_page_last               19275
_journal_paper_doi               10.1039/d4nr02298j
_journal_volume                  16
_journal_year                    2024
_chemical_formula_moiety
'C128 H124 Cu9 Na4 O46 Si20, 2(C36 H30 N P2), 3.5(C2 H6 O)'
_chemical_formula_sum            'C207 H205 Cu9 N2 Na4 O49.5 P4 Si20'
_chemical_formula_weight         4862.33
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2024-05-05 deposited with the CCDC.	2024-09-03 downloaded from the CCDC.
;
_cell_angle_alpha                75.3941(12)
_cell_angle_beta                 87.8609(13)
_cell_angle_gamma                89.5919(12)
_cell_formula_units_Z            2
_cell_length_a                   16.3354(9)
_cell_length_b                   24.6172(13)
_cell_length_c                   28.7146(15)
_cell_measurement_reflns_used    9902
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.04
_cell_measurement_theta_min      2.45
_cell_volume                     11166.1(10)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'APEX3 (Bruker, 2018)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2015)'
_computing_publication_material  'SHELXTL (Sheldrick, 2015)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 QUEST PHOTON-III CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1153
_diffrn_reflns_av_unetI/netI     0.1140
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            151409
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.500
_diffrn_reflns_theta_min         2.023
_exptl_absorpt_coefficient_mu    1.058
_exptl_absorpt_correction_T_max  0.927
_exptl_absorpt_correction_T_min  0.876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10. 
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.446
_exptl_crystal_description       prism
_exptl_crystal_F_000             5004
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.09
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.694
_refine_diff_density_min         -1.071
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1765
_refine_ls_number_reflns         41427
_refine_ls_number_restraints     696
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.1898
_refine_ls_R_factor_gt           0.1034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.01P)²+120.P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2066
_refine_ls_wR_factor_ref         0.2383
_reflns_Friedel_coverage         0.000
_reflns_number_gt                20771
_reflns_number_total             41427
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nr02298j2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 1572729.cif.'
_cod_original_formula_sum        'C207 H205 Cu9 N2 Na4 O49.50 P4 Si20'
_cod_database_code               1572729
_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   0.884
_shelx_estimated_absorpt_t_max   0.939
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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
Cu1 Cu 0.86684(7) 0.84480(4) 0.71489(4) 0.0345(3) Uani 1 1 d . . . . .
Cu2 Cu 0.65657(7) 0.84877(4) 0.76643(4) 0.0348(3) Uani 1 1 d . . . . .
Cu3 Cu 0.72446(7) 0.84533(5) 0.86208(4) 0.0370(3) Uani 1 1 d . . . . .
Cu4 Cu 0.93728(7) 0.83802(4) 0.81025(4) 0.0364(3) Uani 1 1 d . . . . .
Cu5 Cu 0.74730(7) 0.74318(5) 0.74551(4) 0.0337(2) Uani 1 1 d . . . . .
Cu6 Cu 0.62781(7) 0.64138(4) 0.77605(4) 0.0374(3) Uani 1 1 d . . . . .
Cu7 Cu 0.83326(7) 0.63728(4) 0.72457(4) 0.0336(3) Uani 1 1 d . . . . .
Cu8 Cu 0.76589(7) 0.64321(4) 0.62805(4) 0.0366(3) Uani 1 1 d . . . . .
Cu9 Cu 0.55468(7) 0.64791(5) 0.68110(4) 0.0396(3) Uani 1 1 d . . . . .
Si1 Si 0.82152(17) 0.96939(11) 0.65808(9) 0.0391(6) Uani 1 1 d . . . . .
Si2 Si 0.64341(18) 0.97032(11) 0.69768(10) 0.0414(7) Uani 1 1 d . . . . .
Si3 Si 0.63951(18) 0.96060(11) 0.80293(10) 0.0411(7) Uani 1 1 d . . . . .
Si4 Si 0.7747(2) 0.96868(12) 0.86574(10) 0.0471(7) Uani 1 1 d . . . . .
Si5 Si 0.95140(19) 0.95989(11) 0.82686(10) 0.0425(7) Uani 1 1 d . . . . .
Si6 Si 0.95502(18) 0.95351(10) 0.72564(9) 0.0405(7) Uani 1 1 d . . . . .
Si7 Si 0.82886(16) 0.75929(10) 0.64800(9) 0.0332(6) Uani 1 1 d . . . . .
Si8 Si 0.72272(16) 0.76652(10) 0.56425(9) 0.0361(6) Uani 1 1 d . . . . .
Si9 Si 0.55217(17) 0.77095(11) 0.60689(10) 0.0381(6) Uani 1 1 d . . . . .
Si10 Si 0.57828(16) 0.76431(10) 0.71050(9) 0.0366(6) Uani 1 1 d . . . . .
Si11 Si 0.66648(16) 0.72781(11) 0.84220(9) 0.0371(6) Uani 1 1 d . . . . .
Si12 Si 0.77267(17) 0.72173(11) 0.92548(10) 0.0399(7) Uani 1 1 d . . . . .
Si13 Si 0.94244(17) 0.71587(11) 0.88427(10) 0.0380(6) Uani 1 1 d . . . . .
Si14 Si 0.91713(16) 0.72077(10) 0.78066(9) 0.0349(6) Uani 1 1 d . . . . .
Si15 Si 0.66928(17) 0.51777(11) 0.83607(11) 0.0445(7) Uani 1 1 d . . . . .
Si16 Si 0.84216(15) 0.51426(10) 0.79302(10) 0.0393(6) Uani 1 1 d D . . . .
Si17 Si 0.83778(18) 0.52558(11) 0.68719(10) 0.0430(7) Uani 1 1 d . . . . .
Si18 Si 0.70721(19) 0.52203(11) 0.61982(11) 0.0478(7) Uani 1 1 d . . . . .
Si19 Si 0.53416(19) 0.52620(12) 0.66348(13) 0.0530(8) Uani 1 1 d . . . . .
Si20 Si 0.53947(18) 0.53134(11) 0.76558(12) 0.0494(8) Uani 1 1 d . . . . .
Na1 Na 0.7018(2) 0.85979(14) 0.65138(12) 0.0407(9) Uani 1 1 d D . . . .
Na2 Na 0.8821(3) 0.84191(16) 0.91443(13) 0.0511(10) Uani 1 1 d D . . . .
Na3 Na 0.7933(2) 0.62540(14) 0.84034(13) 0.0410(9) Uani 1 1 d D . . . .
Na4 Na 0.6054(3) 0.64699(17) 0.57526(15) 0.0566(11) Uani 1 1 d D . . . .
O1 O 0.7328(4) 0.9917(3) 0.6725(3) 0.0487(18) Uani 1 1 d . . . . .
O2 O 0.6335(5) 0.9927(3) 0.7467(2) 0.0520(19) Uani 1 1 d . . . . .
O3 O 0.7026(4) 0.9928(3) 0.8275(2) 0.0484(18) Uani 1 1 d . . . . .
O4 O 0.8622(4) 0.9855(3) 0.8377(3) 0.0547(19) Uani 1 1 d . . . . .
O5 O 0.9738(4) 0.9828(3) 0.7684(2) 0.0477(18) Uani 1 1 d . . . . .
O6 O 0.8888(4) 0.9901(2) 0.6909(2) 0.0409(16) Uani 1 1 d . . . . .
O7 O 0.8266(4) 0.9029(2) 0.6653(2) 0.0397(16) Uani 1 1 d . . . . .
O8 O 0.6350(4) 0.9034(2) 0.7092(2) 0.0388(15) Uani 1 1 d . . . . .
O9 O 0.6711(4) 0.8967(2) 0.8085(2) 0.0411(16) Uani 1 1 d . . . . .
O10 O 0.7659(4) 0.9028(3) 0.8882(2) 0.0478(18) Uani 1 1 d . . . . .
O11 O 0.9527(4) 0.8933(3) 0.8445(2) 0.0460(17) Uani 1 1 d . . . . .
O12 O 0.9205(4) 0.8908(2) 0.7485(2) 0.0418(16) Uani 1 1 d . . . . .
O13 O 0.8094(4) 0.7900(2) 0.6910(2) 0.0324(14) Uani 1 1 d . . . . .
O14 O 0.7710(4) 0.7902(2) 0.6044(2) 0.0350(14) Uani 1 1 d . . . . .
O15 O 0.6273(4) 0.7864(2) 0.5656(2) 0.0381(15) Uani 1 1 d . . . . .
O16 O 0.5813(4) 0.7941(2) 0.6526(2) 0.0374(15) Uani 1 1 d . . . . .
O17 O 0.6530(4) 0.7917(2) 0.7314(2) 0.0355(15) Uani 1 1 d . . . . .
O18 O 0.8040(4) 0.6935(2) 0.6660(2) 0.0340(14) Uani 1 1 d . . . . .
O19 O 0.7305(4) 0.7001(2) 0.5752(2) 0.0394(15) Uani 1 1 d . . . . .
O20 O 0.5350(4) 0.7049(3) 0.6238(2) 0.0435(16) Uani 1 1 d . . . . .
O21 O 0.5941(4) 0.6978(2) 0.7184(2) 0.0410(16) Uani 1 1 d . . . . .
O22 O 0.6864(4) 0.6968(2) 0.7999(2) 0.0372(15) Uani 1 1 d . . . . .
O23 O 0.7254(4) 0.6973(2) 0.8863(2) 0.0397(16) Uani 1 1 d . . . . .
O24 O 0.8685(4) 0.7007(3) 0.9251(2) 0.0411(16) Uani 1 1 d . . . . .
O25 O 0.9152(4) 0.6922(2) 0.8389(2) 0.0374(15) Uani 1 1 d . . . . .
O26 O 0.8404(4) 0.6938(2) 0.7596(2) 0.0343(14) Uani 1 1 d . . . . .
O27 O 0.6917(4) 0.7931(2) 0.8240(2) 0.0344(14) Uani 1 1 d . . . . .
O28 O 0.7671(4) 0.7885(3) 0.9132(2) 0.0434(16) Uani 1 1 d . . . . .
O29 O 0.9607(4) 0.7816(2) 0.8674(2) 0.0392(15) Uani 1 1 d . . . . .
O30 O 0.9035(4) 0.7881(2) 0.7714(2) 0.0345(15) Uani 1 1 d . . . . .
O31 O 0.7581(4) 0.4928(3) 0.8241(3) 0.0521(19) Uani 1 1 d . . . . .
O32 O 0.8415(4) 0.4919(3) 0.7438(2) 0.0470(17) Uani 1 1 d . . . . .
O33 O 0.7727(4) 0.4954(3) 0.6608(3) 0.0492(18) Uani 1 1 d . . . . .
O34 O 0.6154(4) 0.5029(3) 0.6425(3) 0.0550(19) Uani 1 1 d . . . . .
O35 O 0.5276(4) 0.5019(3) 0.7222(3) 0.057(2) Uani 1 1 d . . . . .
O36 O 0.6031(4) 0.4964(3) 0.8032(2) 0.0498(18) Uani 1 1 d . . . . .
O37 O 0.6678(4) 0.5837(2) 0.8263(2) 0.0391(15) Uani 1 1 d . . . . .
O38 O 0.8550(4) 0.5807(2) 0.7803(2) 0.0365(15) Uani 1 1 d . . . . .
O39 O 0.8111(4) 0.5899(2) 0.6826(2) 0.0430(16) Uani 1 1 d . . . . .
O40 O 0.7187(4) 0.5881(3) 0.6011(3) 0.0481(18) Uani 1 1 d . . . . .
O41 O 0.5321(5) 0.5936(3) 0.6475(3) 0.057(2) Uani 1 1 d . . . . .
O42 O 0.5727(4) 0.5950(3) 0.7431(2) 0.0489(18) Uani 1 1 d . . . . .
C1 C 0.8495(3) 1.0056(4) 0.5946(3) 0.0664(19) Uani 0.65 1 d D . P A 1
C2 C 0.8439(6) 1.0637(4) 0.5771(3) 0.0664(19) Uani 0.65 1 d D . P A 1
H2A H 0.8252 1.0862 0.5978 0.080 Uiso 0.65 1 calc R U P A 1
C3 C 0.8657(7) 1.0889(3) 0.5291(4) 0.0664(19) Uani 0.65 1 d D . P A 1
H3A H 0.8619 1.1285 0.5171 0.080 Uiso 0.65 1 calc R U P A 1
C4 C 0.8930(6) 1.0559(4) 0.4986(3) 0.0664(19) Uani 0.65 1 d D . P A 1
H4A H 0.9079 1.0730 0.4659 0.080 Uiso 0.65 1 calc R U P A 1
C5 C 0.8986(7) 0.9978(4) 0.5162(3) 0.0664(19) Uani 0.65 1 d D . P A 1
H5A H 0.9173 0.9754 0.4954 0.080 Uiso 0.65 1 calc R U P A 1
C6 C 0.8768(6) 0.9727(3) 0.5642(4) 0.0664(19) Uani 0.65 1 d D . P A 1
H6A H 0.8806 0.9331 0.5761 0.080 Uiso 0.65 1 calc R U P A 1
C1A C 0.8568(6) 1.0199(4) 0.6000(3) 0.0664(19) Uani 0.35 1 d D . P A 2
C2A C 0.8161(9) 1.0710(6) 0.5846(5) 0.0664(19) Uani 0.35 1 d D . P A 2
H2B H 0.7712 1.0799 0.6033 0.080 Uiso 0.35 1 calc R U P A 2
C3A C 0.8413(11) 1.1089(6) 0.5416(6) 0.0664(19) Uani 0.35 1 d D . P A 2
H3B H 0.8136 1.1437 0.5311 0.080 Uiso 0.35 1 calc R U P A 2
C4A C 0.9072(10) 1.0958(6) 0.5141(4) 0.0664(19) Uani 0.35 1 d D . P A 2
H4B H 0.9243 1.1216 0.4849 0.080 Uiso 0.35 1 calc R U P A 2
C5A C 0.9478(10) 1.0447(8) 0.5295(5) 0.0664(19) Uani 0.35 1 d D . P A 2
H5B H 0.9927 1.0358 0.5108 0.080 Uiso 0.35 1 calc R U P A 2
C6A C 0.9227(9) 1.0068(6) 0.5724(5) 0.0664(19) Uani 0.35 1 d D . P A 2
H6B H 0.9504 0.9720 0.5829 0.080 Uiso 0.35 1 calc R U P A 2
C7 C 0.5641(3) 1.0065(3) 0.65471(14) 0.0709(15) Uani 1 1 d D . . . .
C8 C 0.5562(4) 1.0648(3) 0.6432(2) 0.0709(15) Uani 1 1 d D . . . .
H8 H 0.5911 1.0866 0.6572 0.085 Uiso 1 1 calc R U . . .
C9 C 0.4972(5) 1.0910(2) 0.6113(3) 0.0709(15) Uani 1 1 d D . . . .
H9 H 0.4918 1.1307 0.6035 0.085 Uiso 1 1 calc R U . . .
C10 C 0.4460(4) 1.0590(3) 0.5908(2) 0.0709(15) Uani 1 1 d D . . . .
H10 H 0.4058 1.0769 0.5691 0.085 Uiso 1 1 calc R U . . .
C11 C 0.4539(4) 1.0007(3) 0.6023(3) 0.0709(15) Uani 1 1 d D . . . .
H11 H 0.4190 0.9789 0.5884 0.085 Uiso 1 1 calc R U . . .
C12 C 0.5129(5) 0.9745(2) 0.6342(2) 0.0709(15) Uani 1 1 d D . . . .
H12 H 0.5182 0.9348 0.6420 0.085 Uiso 1 1 calc R U . . .
C13 C 0.5363(4) 0.95940(18) 0.8335(3) 0.105(2) Uani 1 1 d D . . . .
C14 C 0.4670(6) 0.9777(4) 0.8071(3) 0.105(2) Uani 1 1 d D . . . .
H14 H 0.4719 0.9910 0.7730 0.126 Uiso 1 1 calc R U . . .
C15 C 0.3904(5) 0.9764(4) 0.8306(3) 0.105(2) Uani 1 1 d D . . . .
H15 H 0.3432 0.9889 0.8126 0.126 Uiso 1 1 calc R U . . .
C16 C 0.3833(4) 0.9569(4) 0.8806(4) 0.105(2) Uani 1 1 d D . . . .
H16 H 0.3312 0.9561 0.8966 0.126 Uiso 1 1 calc R U . . .
C17 C 0.4526(6) 0.9386(4) 0.9071(3) 0.105(2) Uani 1 1 d D . . . .
H17 H 0.4477 0.9252 0.9411 0.126 Uiso 1 1 calc R U . . .
C18 C 0.5291(5) 0.9398(4) 0.8835(3) 0.105(2) Uani 1 1 d D . . . .
H18 H 0.5763 0.9273 0.9015 0.126 Uiso 1 1 calc R U . . .
C19 C 0.7591(7) 1.0136(2) 0.90974(17) 0.099(2) Uani 1 1 d D . . . .
C20 C 0.6802(6) 1.0224(4) 0.9268(3) 0.099(2) Uani 1 1 d D . . . .
H20 H 0.6344 1.0057 0.9163 0.119 Uiso 1 1 calc R U . . .
C21 C 0.6684(5) 1.0556(4) 0.9593(3) 0.099(2) Uani 1 1 d D . . . .
H21 H 0.6147 1.0615 0.9709 0.119 Uiso 1 1 calc R U . . .
C22 C 0.7356(7) 1.0801(3) 0.9748(3) 0.099(2) Uani 1 1 d D . . . .
H22 H 0.7277 1.1027 0.9970 0.119 Uiso 1 1 calc R U . . .
C23 C 0.8144(6) 1.0714(4) 0.9578(3) 0.099(2) Uani 1 1 d D . . . .
H23 H 0.8602 1.0880 0.9683 0.119 Uiso 1 1 calc R U . . .
C24 C 0.8262(5) 1.0381(4) 0.9252(3) 0.099(2) Uani 1 1 d D . . . .
H24 H 0.8799 1.0322 0.9136 0.119 Uiso 1 1 calc R U . . .
C25 C 1.0259(3) 0.9927(4) 0.85770(17) 0.0801(17) Uani 1 1 d D . . . .
C26 C 1.0822(5) 0.9578(3) 0.8863(3) 0.0801(17) Uani 1 1 d D . . . .
H26 H 1.0811 0.9184 0.8892 0.096 Uiso 1 1 calc R U . . .
C27 C 1.1402(5) 0.9805(4) 0.9105(3) 0.0801(17) Uani 1 1 d D . . . .
H27 H 1.1785 0.9567 0.9299 0.096 Uiso 1 1 calc R U . . .
C28 C 1.1418(4) 1.0383(4) 0.9061(2) 0.0801(17) Uani 1 1 d D . . . .
H28 H 1.1813 1.0538 0.9226 0.096 Uiso 1 1 calc R U . . .
C29 C 1.0856(5) 1.0732(3) 0.8776(3) 0.0801(17) Uani 1 1 d D . . . .
H29 H 1.0867 1.1125 0.8746 0.096 Uiso 1 1 calc R U . . .
C30 C 1.0276(4) 1.0504(4) 0.8533(3) 0.0801(17) Uani 1 1 d D . . . .
H30 H 0.9893 1.0742 0.8339 0.096 Uiso 1 1 calc R U . . .
C31 C 1.0519(3) 0.9493(2) 0.68911(18) 0.0562(12) Uani 1 1 d D . . . .
C32 C 1.1080(4) 0.9066(2) 0.70648(19) 0.0562(12) Uani 1 1 d D . . . .
H32 H 1.0970 0.8801 0.7364 0.067 Uiso 1 1 calc R U . . .
C33 C 1.1801(4) 0.9027(2) 0.6800(2) 0.0562(12) Uani 1 1 d D . . . .
H33 H 1.2181 0.8736 0.6918 0.067 Uiso 1 1 calc R U . . .
C34 C 1.1964(3) 0.9415(3) 0.6360(2) 0.0562(12) Uani 1 1 d D . . . .
H34 H 1.2456 0.9389 0.6180 0.067 Uiso 1 1 calc R U . . .
C35 C 1.1404(4) 0.9842(3) 0.6186(2) 0.0562(12) Uani 1 1 d D . . . .
H35 H 1.1514 1.0107 0.5887 0.067 Uiso 1 1 calc R U . . .
C36 C 1.0683(4) 0.9881(2) 0.6452(2) 0.0562(12) Uani 1 1 d D . . . .
H36 H 1.0302 1.0172 0.6333 0.067 Uiso 1 1 calc R U . . .
C37 C 0.9382(3) 0.7679(3) 0.62592(10) 0.0471(10) Uani 1 1 d D . . . .
C38 C 0.9787(4) 0.7226(2) 0.6146(2) 0.0471(10) Uani 1 1 d D . . . .
H38 H 0.9507 0.6880 0.6181 0.057 Uiso 1 1 calc R U . . .
C39 C 1.0603(4) 0.7280(2) 0.5980(2) 0.0471(10) Uani 1 1 d D . . . .
H39 H 1.0878 0.6970 0.5903 0.057 Uiso 1 1 calc R U . . .
C40 C 1.1017(3) 0.7786(3) 0.59274(19) 0.0471(10) Uani 1 1 d D . . . .
H40 H 1.1573 0.7823 0.5814 0.057 Uiso 1 1 calc R U . . .
C41 C 1.0612(4) 0.8240(2) 0.6041(2) 0.0471(10) Uani 1 1 d D . . . .
H41 H 1.0893 0.8586 0.6006 0.057 Uiso 1 1 calc R U . . .
C42 C 0.9796(4) 0.8186(2) 0.6206(2) 0.0471(10) Uani 1 1 d D . . . .
H42 H 0.9522 0.8496 0.6284 0.057 Uiso 1 1 calc R U . . .
C43 C 0.7630(4) 0.80583(14) 0.50326(18) 0.0613(13) Uani 1 1 d D . . . .
C44 C 0.8447(4) 0.8231(3) 0.4964(2) 0.0613(13) Uani 1 1 d D . . . .
H44 H 0.8802 0.8148 0.5227 0.074 Uiso 1 1 calc R U . . .
C45 C 0.8745(4) 0.8523(3) 0.4508(2) 0.0613(13) Uani 1 1 d D . . . .
H45 H 0.9301 0.8640 0.4462 0.074 Uiso 1 1 calc R U . . .
C46 C 0.8225(4) 0.8645(2) 0.41212(19) 0.0613(13) Uani 1 1 d D . . . .
H46 H 0.8427 0.8844 0.3811 0.074 Uiso 1 1 calc R U . . .
C47 C 0.7408(4) 0.8473(3) 0.4190(2) 0.0613(13) Uani 1 1 d D . . . .
H47 H 0.7054 0.8555 0.3926 0.074 Uiso 1 1 calc R U . . .
C48 C 0.7111(3) 0.8180(3) 0.4645(2) 0.0613(13) Uani 1 1 d D . . . .
H48 H 0.6554 0.8063 0.4691 0.074 Uiso 1 1 calc R U . . .
C49 C 0.4617(3) 0.81309(17) 0.5811(2) 0.0635(13) Uani 1 1 d D . . . .
C50 C 0.4641(3) 0.8473(3) 0.5343(2) 0.0635(13) Uani 1 1 d D . . . .
H50 H 0.5128 0.8496 0.5147 0.076 Uiso 1 1 calc R U . . .
C51 C 0.3953(4) 0.8783(3) 0.5162(2) 0.0635(13) Uani 1 1 d D . . . .
H51 H 0.3970 0.9016 0.4843 0.076 Uiso 1 1 calc R U . . .
C52 C 0.3239(4) 0.8749(3) 0.5451(2) 0.0635(13) Uani 1 1 d D . . . .
H52 H 0.2770 0.8960 0.5328 0.076 Uiso 1 1 calc R U . . .
C53 C 0.3214(4) 0.8407(3) 0.5919(2) 0.0635(13) Uani 1 1 d D . . . .
H53 H 0.2728 0.8385 0.6115 0.076 Uiso 1 1 calc R U . . .
C54 C 0.3903(4) 0.8098(3) 0.60993(19) 0.0635(13) Uani 1 1 d D . . . .
H54 H 0.3886 0.7865 0.6418 0.076 Uiso 1 1 calc R U . . .
C55 C 0.4743(3) 0.7783(3) 0.73341(11) 0.0576(12) Uani 1 1 d D . . . .
C56 C 0.4495(4) 0.8330(3) 0.7320(2) 0.0576(12) Uani 1 1 d D . . . .
H56 H 0.4859 0.8635 0.7192 0.069 Uiso 1 1 calc R U . . .
C57 C 0.3713(4) 0.8430(2) 0.7493(3) 0.0576(12) Uani 1 1 d D . . . .
H57 H 0.3545 0.8802 0.7483 0.069 Uiso 1 1 calc R U . . .
C58 C 0.3179(3) 0.7982(3) 0.7680(2) 0.0576(12) Uani 1 1 d D . . . .
H58 H 0.2647 0.8050 0.7797 0.069 Uiso 1 1 calc R U . . .
C59 C 0.3426(4) 0.7434(3) 0.7694(3) 0.0576(12) Uani 1 1 d D . . . .
H59 H 0.3062 0.7129 0.7822 0.069 Uiso 1 1 calc R U . . .
C60 C 0.4209(4) 0.7335(2) 0.7522(2) 0.0576(12) Uani 1 1 d D . . . .
H60 H 0.4377 0.6962 0.7532 0.069 Uiso 1 1 calc R U . . .
C61 C 0.5556(3) 0.7205(3) 0.86164(10) 0.0600(13) Uani 1 1 d D . . . .
C62 C 0.5140(4) 0.7675(3) 0.8689(2) 0.0600(13) Uani 1 1 d D . . . .
H62 H 0.5419 0.8023 0.8639 0.072 Uiso 1 1 calc R U . . .
C63 C 0.4313(4) 0.7634(3) 0.8833(3) 0.0600(13) Uani 1 1 d D . . . .
H63 H 0.4029 0.7955 0.8882 0.072 Uiso 1 1 calc R U . . .
C64 C 0.3902(3) 0.7124(3) 0.8907(2) 0.0600(13) Uani 1 1 d D . . . .
H64 H 0.3339 0.7096 0.9005 0.072 Uiso 1 1 calc R U . . .
C65 C 0.4317(4) 0.6653(3) 0.8834(3) 0.0600(13) Uani 1 1 d D . . . .
H65 H 0.4037 0.6305 0.8884 0.072 Uiso 1 1 calc R U . . .
C66 C 0.5144(4) 0.6693(3) 0.8689(2) 0.0600(13) Uani 1 1 d D . . . .
H66 H 0.5427 0.6373 0.8640 0.072 Uiso 1 1 calc R U . . .
C67 C 0.7281(5) 0.68415(14) 0.9863(2) 0.0751(16) Uani 1 1 d D . . . .
C68 C 0.6453(5) 0.6694(3) 0.9912(2) 0.0751(16) Uani 1 1 d D . . . .
H68 H 0.6120 0.6784 0.9639 0.090 Uiso 1 1 calc R U . . .
C69 C 0.6114(4) 0.6415(3) 1.0361(3) 0.0751(16) Uani 1 1 d D . . . .
H69 H 0.5551 0.6315 1.0394 0.090 Uiso 1 1 calc R U . . .
C70 C 0.6603(5) 0.6283(3) 1.0762(2) 0.0751(16) Uani 1 1 d D . . . .
H70 H 0.6373 0.6093 1.1068 0.090 Uiso 1 1 calc R U . . .
C71 C 0.7431(5) 0.6430(3) 1.0713(2) 0.0751(16) Uani 1 1 d D . . . .
H71 H 0.7764 0.6340 1.0986 0.090 Uiso 1 1 calc R U . . .
C72 C 0.7769(4) 0.6709(3) 1.0264(3) 0.0751(16) Uani 1 1 d D . . . .
H72 H 0.8333 0.6809 1.0232 0.090 Uiso 1 1 calc R U . . .
C73 C 1.0365(3) 0.67779(15) 0.9105(3) 0.0738(15) Uani 1 1 d D . . . .
C74 C 1.0440(4) 0.6547(3) 0.9598(2) 0.0738(15) Uani 1 1 d D . . . .
H74 H 1.0003 0.6579 0.9817 0.089 Uiso 1 1 calc R U . . .
C75 C 1.1158(5) 0.6269(3) 0.9770(2) 0.0738(15) Uani 1 1 d D . . . .
H75 H 1.1208 0.6112 1.0105 0.089 Uiso 1 1 calc R U . . .
C76 C 1.1801(4) 0.6221(3) 0.9449(3) 0.0738(15) Uani 1 1 d D . . . .
H76 H 1.2289 0.6031 0.9566 0.089 Uiso 1 1 calc R U . . .
C77 C 1.1726(4) 0.6451(4) 0.8956(3) 0.0738(15) Uani 1 1 d D . . . .
H77 H 1.2163 0.6419 0.8738 0.089 Uiso 1 1 calc R U . . .
C78 C 1.1009(4) 0.6729(3) 0.8785(2) 0.0738(15) Uani 1 1 d D . . . .
H78 H 1.0959 0.6886 0.8449 0.089 Uiso 1 1 calc R U . . .
C79 C 1.0179(3) 0.7035(3) 0.75586(12) 0.0508(11) Uani 1 1 d D . . . .
C80 C 1.0375(3) 0.6470(2) 0.7615(2) 0.0508(11) Uani 1 1 d D . . . .
H80 H 0.9998 0.6187 0.7776 0.061 Uiso 1 1 calc R U . . .
C81 C 1.1125(4) 0.6321(2) 0.7434(2) 0.0508(11) Uani 1 1 d D . . . .
H81 H 1.1258 0.5936 0.7473 0.061 Uiso 1 1 calc R U . . .
C82 C 1.1679(3) 0.6737(3) 0.7198(2) 0.0508(11) Uani 1 1 d D . . . .
H82 H 1.2190 0.6635 0.7075 0.061 Uiso 1 1 calc R U . . .
C83 C 1.1483(4) 0.7302(2) 0.7141(2) 0.0508(11) Uani 1 1 d D . . . .
H83 H 1.1860 0.7585 0.6979 0.061 Uiso 1 1 calc R U . . .
C84 C 1.0733(4) 0.7451(2) 0.7321(2) 0.0508(11) Uani 1 1 d D . . . .
H84 H 1.0600 0.7835 0.7283 0.061 Uiso 1 1 calc R U . . .
C85 C 0.6438(2) 0.4849(4) 0.9017(2) 0.0893(19) Uani 1 1 d D . . . .
C86 C 0.6464(5) 0.4268(3) 0.9208(3) 0.0893(19) Uani 1 1 d D . . . .
H86 H 0.6612 0.4029 0.9006 0.107 Uiso 1 1 calc R U . . .
C87 C 0.6271(5) 0.4040(3) 0.9695(3) 0.0893(19) Uani 1 1 d D . . . .
H87 H 0.6288 0.3645 0.9825 0.107 Uiso 1 1 calc R U . . .
C88 C 0.6052(4) 0.4391(4) 0.9992(2) 0.0893(19) Uani 1 1 d D . . . .
H88 H 0.5921 0.4235 1.0324 0.107 Uiso 1 1 calc R U . . .
C89 C 0.6027(5) 0.4971(4) 0.9802(3) 0.0893(19) Uani 1 1 d D . . . .
H89 H 0.5878 0.5210 1.0004 0.107 Uiso 1 1 calc R U . . .
C90 C 0.6219(5) 0.5200(3) 0.9315(3) 0.0893(19) Uani 1 1 d D . . . .
H90 H 0.6202 0.5595 0.9185 0.107 Uiso 1 1 calc R U . . .
C91 C 0.9290(3) 0.47823(17) 0.82892(16) 0.075(2) Uani 0.7 1 d D . P B 1
C92 C 0.9139(4) 0.4402(3) 0.8736(2) 0.075(2) Uani 0.7 1 d D . P B 1
H92A H 0.8592 0.4327 0.8858 0.090 Uiso 0.7 1 calc R U P B 1
C93 C 0.9787(5) 0.4135(4) 0.9003(3) 0.075(2) Uani 0.7 1 d D . P B 1
H93A H 0.9681 0.3877 0.9306 0.090 Uiso 0.7 1 calc R U P B 1
C94 C 1.0593(4) 0.4244(4) 0.8826(3) 0.075(2) Uani 0.7 1 d D . P B 1
H94A H 1.1035 0.4061 0.9008 0.090 Uiso 0.7 1 calc R U P B 1
C95 C 1.0746(3) 0.4622(5) 0.8380(3) 0.075(2) Uani 0.7 1 d D . P B 1
H95A H 1.1294 0.4698 0.8259 0.090 Uiso 0.7 1 calc R U P B 1
C96 C 1.0098(2) 0.4890(4) 0.8113(3) 0.075(2) Uani 0.7 1 d D . P B 1
H96A H 1.0206 0.5148 0.7810 0.090 Uiso 0.7 1 calc R U P B 1
C91A C 0.9159(4) 0.4750(3) 0.83756(19) 0.075(2) Uani 0.3 1 d D . P B 2
C92A C 0.9842(6) 0.5023(6) 0.8491(5) 0.075(2) Uani 0.3 1 d D . P B 2
H92B H 0.9932 0.5410 0.8342 0.090 Uiso 0.3 1 calc R U P B 2
C93A C 1.0391(8) 0.4730(8) 0.8823(6) 0.075(2) Uani 0.3 1 d D . P B 2
H93B H 1.0854 0.4917 0.8899 0.090 Uiso 0.3 1 calc R U P B 2
C94A C 1.0261(9) 0.4162(8) 0.9042(5) 0.075(2) Uani 0.3 1 d D . P B 2
H94B H 1.0636 0.3962 0.9269 0.090 Uiso 0.3 1 calc R U P B 2
C95A C 0.9580(11) 0.3888(6) 0.8929(6) 0.075(2) Uani 0.3 1 d D . P B 2
H95B H 0.9491 0.3501 0.9078 0.090 Uiso 0.3 1 calc R U P B 2
C96A C 0.9031(9) 0.4181(4) 0.8597(5) 0.075(2) Uani 0.3 1 d D . P B 2
H96B H 0.8568 0.3993 0.8520 0.090 Uiso 0.3 1 calc R U P B 2
C97 C 0.9402(3) 0.5236(2) 0.65827(15) 0.0575(12) Uani 1 1 d D . . . .
C98 C 1.0006(4) 0.5596(2) 0.6664(2) 0.0575(12) Uani 1 1 d D . . . .
H98 H 0.9885 0.5842 0.6864 0.069 Uiso 1 1 calc R U . . .
C99 C 1.0788(4) 0.5594(3) 0.6452(3) 0.0575(12) Uani 1 1 d D . . . .
H99A H 1.1199 0.5839 0.6508 0.069 Uiso 1 1 calc R U . . .
C100 C 1.0967(3) 0.5232(3) 0.6158(2) 0.0575(12) Uani 1 1 d D . . . .
H10A H 1.1499 0.5231 0.6014 0.069 Uiso 1 1 calc R U . . .
C101 C 1.0363(4) 0.4873(3) 0.6077(2) 0.0575(12) Uani 1 1 d D . . . .
H10B H 1.0485 0.4626 0.5877 0.069 Uiso 1 1 calc R U . . .
C102 C 0.9581(4) 0.4875(2) 0.6289(2) 0.0575(12) Uani 1 1 d D . . . .
H10C H 0.9170 0.4630 0.6233 0.069 Uiso 1 1 calc R U . . .
C103 C 0.7315(4) 0.4843(2) 0.57140(18) 0.0719(15) Uani 1 1 d D . . . .
C104 C 0.7963(4) 0.5047(2) 0.5387(3) 0.0719(15) Uani 1 1 d D . . . .
H10D H 0.8265 0.5365 0.5414 0.086 Uiso 1 1 calc R U . . .
C105 C 0.8167(4) 0.4783(3) 0.5022(2) 0.0719(15) Uani 1 1 d D . . . .
H10E H 0.8609 0.4922 0.4800 0.086 Uiso 1 1 calc R U . . .
C106 C 0.7724(5) 0.4315(3) 0.4983(2) 0.0719(15) Uani 1 1 d D . . . .
H10F H 0.7864 0.4135 0.4735 0.086 Uiso 1 1 calc R U . . .
C107 C 0.7076(5) 0.4112(3) 0.5310(3) 0.0719(15) Uani 1 1 d D . . . .
H10G H 0.6774 0.3793 0.5283 0.086 Uiso 1 1 calc R U . . .
C108 C 0.6872(4) 0.4375(3) 0.5675(2) 0.0719(15) Uani 1 1 d D . . . .
H10H H 0.6430 0.4236 0.5896 0.086 Uiso 1 1 calc R U . . .
C109 C 0.4431(5) 0.50053(15) 0.6389(4) 0.097(2) Uani 1 1 d D . . . .
C110 C 0.4460(5) 0.4911(3) 0.5930(3) 0.097(2) Uani 1 1 d D . . . .
H11A H 0.4952 0.4979 0.5738 0.116 Uiso 1 1 calc R U . . .
C111 C 0.3764(6) 0.4718(4) 0.5753(3) 0.097(2) Uani 1 1 d D . . . .
H11B H 0.3783 0.4654 0.5440 0.116 Uiso 1 1 calc R U . . .
C112 C 0.3042(5) 0.4618(3) 0.6035(4) 0.097(2) Uani 1 1 d D . . . .
H11C H 0.2569 0.4486 0.5915 0.116 Uiso 1 1 calc R U . . .
C113 C 0.3012(5) 0.4712(4) 0.6495(4) 0.097(2) Uani 1 1 d D . . . .
H11D H 0.2520 0.4645 0.6687 0.116 Uiso 1 1 calc R U . . .
C114 C 0.3707(6) 0.4906(3) 0.6672(3) 0.097(2) Uani 1 1 d D . . . .
H11E H 0.3688 0.4970 0.6985 0.116 Uiso 1 1 calc R U . . .
C115 C 0.4397(4) 0.5335(2) 0.8009(3) 0.0919(19) Uani 1 1 d D . . . .
C116 C 0.3728(5) 0.5614(3) 0.7769(2) 0.0919(19) Uani 1 1 d D . . . .
H11F H 0.3777 0.5789 0.7434 0.110 Uiso 1 1 calc R U . . .
C117 C 0.2987(4) 0.5635(4) 0.8022(3) 0.0919(19) Uani 1 1 d D . . . .
H11G H 0.2531 0.5825 0.7859 0.110 Uiso 1 1 calc R U . . .
C118 C 0.2914(4) 0.5378(3) 0.8513(3) 0.0919(19) Uani 1 1 d D . . . .
H11H H 0.2410 0.5393 0.8685 0.110 Uiso 1 1 calc R U . . .
C119 C 0.3583(5) 0.5100(4) 0.8753(2) 0.0919(19) Uani 1 1 d D . . . .
H11I H 0.3533 0.4925 0.9088 0.110 Uiso 1 1 calc R U . . .
C120 C 0.4324(4) 0.5078(3) 0.8501(3) 0.0919(19) Uani 1 1 d D . . . .
H12A H 0.4780 0.4888 0.8664 0.110 Uiso 1 1 calc R U . . .
O43 O 0.6562(6) 0.9061(4) 0.5765(2) 0.126(3) Uani 1 1 d D . . . .
H43O H 0.6753 0.8841 0.5579 0.189 Uiso 1 1 d R U . . .
C121 C 0.6612(9) 0.9602(4) 0.5441(2) 0.126(3) Uani 1 1 d D . . . .
H12B H 0.6854 0.9867 0.5606 0.151 Uiso 1 1 calc R U . . .
H12C H 0.6053 0.9734 0.5350 0.151 Uiso 1 1 calc R U . . .
C122 C 0.7127(10) 0.9607(6) 0.4986(4) 0.126(3) Uani 1 1 d D . . . .
H12D H 0.7145 0.9989 0.4776 0.189 Uiso 1 1 calc R U . . .
H12E H 0.6882 0.9353 0.4817 0.189 Uiso 1 1 calc R U . . .
H12F H 0.7684 0.9483 0.5074 0.189 Uiso 1 1 calc R U . . .
O44 O 0.9583(15) 0.8268(7) 0.9831(6) 0.126(3) Uani 0.5 1 d D . P C 1
H44A H 1.0051 0.8125 0.9737 0.189 Uiso 0.5 1 d R U P C 1
C123 C 0.985(2) 0.8597(9) 1.0143(8) 0.126(3) Uani 0.5 1 d D . P C 1
H12G H 1.0444 0.8545 1.0187 0.151 Uiso 0.5 1 calc R U P C 1
H12H H 0.9565 0.8465 1.0463 0.151 Uiso 0.5 1 calc R U P C 1
C124 C 0.967(2) 0.9220(8) 0.9941(9) 0.126(3) Uani 0.5 1 d D . P C 1
H12I H 0.9911 0.9437 1.0145 0.189 Uiso 0.5 1 calc R U P C 1
H12J H 0.9074 0.9279 0.9937 0.189 Uiso 0.5 1 calc R U P C 1
H12K H 0.9904 0.9344 0.9613 0.189 Uiso 0.5 1 calc R U P C 1
O44A O 0.9375(18) 0.8404(9) 0.9893(7) 0.126(3) Uani 0.5 1 d D . P C 2
H44B H 0.9917 0.8361 0.9848 0.189 Uiso 0.5 1 d R U P C 2
C12E C 0.933(2) 0.8785(9) 1.0197(5) 0.126(3) Uani 0.5 1 d D . P C 2
H12L H 0.9845 0.8772 1.0368 0.151 Uiso 0.5 1 calc R U P C 2
H12M H 0.8877 0.8666 1.0443 0.151 Uiso 0.5 1 calc R U P C 2
C12F C 0.917(2) 0.9385(8) 0.9908(10) 0.126(3) Uani 0.5 1 d D . P C 2
H12N H 0.9138 0.9635 1.0126 0.189 Uiso 0.5 1 calc R U P C 2
H12O H 0.8656 0.9400 0.9742 0.189 Uiso 0.5 1 calc R U P C 2
H12P H 0.9623 0.9507 0.9670 0.189 Uiso 0.5 1 calc R U P C 2
O45 O 0.8408(12) 0.5836(6) 0.9159(4) 0.118(3) Uani 0.55 1 d D . P D 1
H45A H 0.8517 0.6168 0.9222 0.176 Uiso 0.55 1 d R U P D 1
C125 C 0.8284(17) 0.5326(9) 0.9522(6) 0.118(3) Uani 0.55 1 d D . P D 1
H12Q H 0.8357 0.5004 0.9376 0.141 Uiso 0.55 1 calc R U P D 1
H12R H 0.7715 0.5314 0.9656 0.141 Uiso 0.55 1 calc R U P D 1
C126 C 0.8878(17) 0.5268(10) 0.9930(6) 0.118(3) Uani 0.55 1 d D . P D 1
H12S H 0.8886 0.4877 1.0120 0.176 Uiso 0.55 1 calc R U P D 1
H12T H 0.8701 0.5512 1.0136 0.176 Uiso 0.55 1 calc R U P D 1
H12U H 0.9429 0.5379 0.9793 0.176 Uiso 0.55 1 calc R U P D 1
O45A O 0.8287(16) 0.5552(5) 0.9068(5) 0.118(3) Uani 0.45 1 d D . P D 2
H45B H 0.7799 0.5464 0.9224 0.176 Uiso 0.45 1 d R U P D 2
C12A C 0.8805(13) 0.5491(11) 0.9467(5) 0.118(3) Uani 0.45 1 d D . P D 2
H12V H 0.9121 0.5842 0.9430 0.141 Uiso 0.45 1 calc R U P D 2
H12W H 0.9199 0.5184 0.9467 0.141 Uiso 0.45 1 calc R U P D 2
C12B C 0.832(2) 0.5362(16) 0.9946(5) 0.118(3) Uani 0.45 1 d D . P D 2
H12X H 0.8695 0.5338 1.0209 0.176 Uiso 0.45 1 calc R U P D 2
H12Y H 0.8031 0.5003 0.9993 0.176 Uiso 0.45 1 calc R U P D 2
H12Z H 0.7921 0.5661 0.9945 0.176 Uiso 0.45 1 calc R U P D 2
O46 O 0.5155(7) 0.6518(5) 0.5138(3) 0.118(3) Uani 0.7 1 d D . P E 1
H46A H 0.4739 0.6723 0.5218 0.176 Uiso 0.7 1 d R U P E 1
C127 C 0.5184(11) 0.6689(6) 0.4624(3) 0.118(3) Uani 0.7 1 d D . P E 1
H13A H 0.4664 0.6584 0.4503 0.141 Uiso 0.7 1 calc R U P E 1
H13B H 0.5634 0.6488 0.4498 0.141 Uiso 0.7 1 calc R U P E 1
C128 C 0.5318(15) 0.7321(6) 0.4436(6) 0.118(3) Uani 0.7 1 d D . P E 1
H13C H 0.5343 0.7420 0.4083 0.176 Uiso 0.7 1 calc R U P E 1
H13D H 0.5833 0.7426 0.4553 0.176 Uiso 0.7 1 calc R U P E 1
H13E H 0.4863 0.7521 0.4550 0.176 Uiso 0.7 1 calc R U P E 1
O46A O 0.6909(11) 0.6483(13) 0.5084(6) 0.118(3) Uani 0.3 1 d D . P E 2
H46B H 0.7411 0.6601 0.5133 0.176 Uiso 0.3 1 d R U P E 2
C12C C 0.684(2) 0.6333(18) 0.4638(7) 0.118(3) Uani 0.3 1 d D . P E 2
H13F H 0.7305 0.6092 0.4591 0.141 Uiso 0.3 1 calc R U P E 2
H13G H 0.6860 0.6676 0.4370 0.141 Uiso 0.3 1 calc R U P E 2
C12D C 0.604(2) 0.6020(18) 0.4623(9) 0.118(3) Uani 0.3 1 d D . P E 2
H13H H 0.5967 0.5979 0.4296 0.176 Uiso 0.3 1 calc R U P E 2
H13I H 0.5578 0.6233 0.4716 0.176 Uiso 0.3 1 calc R U P E 2
H13J H 0.6057 0.5648 0.4848 0.176 Uiso 0.3 1 calc R U P E 2
P1 P 0.0368(2) 0.70324(10) 0.36246(10) 0.0604(8) Uani 1 1 d D . . . .
P2 P 0.2116(2) 0.73010(12) 0.34598(12) 0.0780(11) Uani 1 1 d D . . . .
N1 N 0.1334(6) 0.6938(3) 0.3582(3) 0.058(2) Uani 1 1 d . . . . .
C129 C -0.0033(4) 0.6772(2) 0.42325(13) 0.0836(18) Uani 1 1 d D . . . .
C130 C 0.0324(4) 0.6290(3) 0.4516(2) 0.0836(18) Uani 1 1 d D . . . .
H13K H 0.0763 0.6112 0.4386 0.100 Uiso 1 1 calc R U . . .
C131 C 0.0038(5) 0.6070(3) 0.4989(2) 0.0836(18) Uani 1 1 d D . . . .
H13L H 0.0281 0.5742 0.5182 0.100 Uiso 1 1 calc R U . . .
C132 C -0.0606(5) 0.6332(3) 0.51798(18) 0.0836(18) Uani 1 1 d D . . . .
H13M H -0.0802 0.6182 0.5502 0.100 Uiso 1 1 calc R U . . .
C133 C -0.0964(5) 0.6813(3) 0.4897(2) 0.0836(18) Uani 1 1 d D . . . .
H13N H -0.1403 0.6991 0.5027 0.100 Uiso 1 1 calc R U . . .
C134 C -0.0677(5) 0.7034(3) 0.4423(2) 0.0836(18) Uani 1 1 d D . . . .
H13O H -0.0920 0.7362 0.4231 0.100 Uiso 1 1 calc R U . . .
C135 C -0.0133(5) 0.66557(12) 0.32535(16) 0.0680(14) Uani 1 1 d D . . . .
C136 C -0.0980(5) 0.6584(3) 0.3299(2) 0.0680(14) Uani 1 1 d D . . . .
H13P H -0.1289 0.6733 0.3525 0.082 Uiso 1 1 calc R U . . .
C137 C -0.1375(4) 0.6293(3) 0.3014(3) 0.0680(14) Uani 1 1 d D . . . .
H13Q H -0.1953 0.6244 0.3045 0.082 Uiso 1 1 calc R U . . .
C138 C -0.0922(5) 0.6073(2) 0.2682(2) 0.0680(14) Uani 1 1 d D . . . .
H13R H -0.1192 0.5875 0.2487 0.082 Uiso 1 1 calc R U . . .
C139 C -0.0074(5) 0.6145(3) 0.2636(2) 0.0680(14) Uani 1 1 d D . . . .
H13S H 0.0234 0.5995 0.2410 0.082 Uiso 1 1 calc R U . . .
C140 C 0.0320(4) 0.6436(3) 0.2922(3) 0.0680(14) Uani 1 1 d D . . . .
H14A H 0.0898 0.6485 0.2891 0.082 Uiso 1 1 calc R U . . .
C141 C 0.0102(3) 0.77592(15) 0.3409(2) 0.0706(15) Uani 1 1 d D . . . .
C142 C -0.0366(4) 0.7938(2) 0.3002(2) 0.0706(15) Uani 1 1 d D . . . .
H14B H -0.0548 0.7675 0.2836 0.085 Uiso 1 1 calc R U . . .
C143 C -0.0568(5) 0.8505(3) 0.2839(2) 0.0706(15) Uani 1 1 d D . . . .
H14C H -0.0887 0.8628 0.2562 0.085 Uiso 1 1 calc R U . . .
C144 C -0.0301(4) 0.88901(19) 0.3082(3) 0.0706(15) Uani 1 1 d D . . . .
H14D H -0.0438 0.9276 0.2971 0.085 Uiso 1 1 calc R U . . .
C145 C 0.0167(5) 0.8711(2) 0.3489(3) 0.0706(15) Uani 1 1 d D . . . .
H14E H 0.0349 0.8974 0.3654 0.085 Uiso 1 1 calc R U . . .
C146 C 0.0368(4) 0.8145(3) 0.3652(2) 0.0706(15) Uani 1 1 d D . . . .
H14F H 0.0687 0.8022 0.3930 0.085 Uiso 1 1 calc R U . . .
C147 C 0.2430(3) 0.7503(2) 0.39871(17) 0.094(3) Uani 0.7 1 d D . P F 1
C148 C 0.3000(6) 0.7934(4) 0.3942(3) 0.094(3) Uani 0.7 1 d D . P F 1
H14G H 0.3222 0.8121 0.3634 0.112 Uiso 0.7 1 calc R U P F 1
C149 C 0.3243(7) 0.8090(4) 0.4351(3) 0.094(3) Uani 0.7 1 d D . P F 1
H14H H 0.3631 0.8384 0.4321 0.112 Uiso 0.7 1 calc R U P F 1
C150 C 0.2916(7) 0.7815(4) 0.4805(3) 0.094(3) Uani 0.7 1 d D . P F 1
H15A H 0.3081 0.7921 0.5083 0.112 Uiso 0.7 1 calc R U P F 1
C151 C 0.2346(8) 0.7384(5) 0.48490(19) 0.094(3) Uani 0.7 1 d D . P F 1
H15B H 0.2123 0.7196 0.5158 0.112 Uiso 0.7 1 calc R U P F 1
C152 C 0.2103(6) 0.7228(4) 0.44396(16) 0.094(3) Uani 0.7 1 d D . P F 1
H15C H 0.1715 0.6935 0.4470 0.112 Uiso 0.7 1 calc R U P F 1
C14A C 0.2850(5) 0.7346(3) 0.3898(3) 0.094(3) Uani 0.3 1 d D . P F 2
C14B C 0.2583(10) 0.7403(7) 0.4351(3) 0.094(3) Uani 0.3 1 d D . P F 2
H14I H 0.2014 0.7418 0.4426 0.112 Uiso 0.3 1 calc R U P F 2
C14C C 0.3154(13) 0.7438(8) 0.4692(5) 0.094(3) Uani 0.3 1 d D . P F 2
H14J H 0.2973 0.7477 0.5000 0.112 Uiso 0.3 1 calc R U P F 2
C15H C 0.3990(12) 0.7416(6) 0.4580(7) 0.094(3) Uani 0.3 1 d D . P F 2
H15D H 0.4378 0.7440 0.4812 0.112 Uiso 0.3 1 calc R U P F 2
C15I C 0.4257(8) 0.7360(9) 0.4128(8) 0.094(3) Uani 0.3 1 d D . P F 2
H15E H 0.4826 0.7345 0.4052 0.112 Uiso 0.3 1 calc R U P F 2
C15J C 0.3686(4) 0.7324(8) 0.3786(6) 0.094(3) Uani 0.3 1 d D . P F 2
H15F H 0.3868 0.7286 0.3478 0.112 Uiso 0.3 1 calc R U P F 2
C153 C 0.2960(3) 0.6896(2) 0.33128(19) 0.107(4) Uani 0.6 1 d D . P F 1
C154 C 0.2824(5) 0.6476(4) 0.3076(4) 0.107(4) Uani 0.6 1 d D . P F 1
H15G H 0.2285 0.6405 0.2993 0.128 Uiso 0.6 1 calc R U P F 1
C155 C 0.3480(7) 0.6162(4) 0.2962(5) 0.107(4) Uani 0.6 1 d D . P F 1
H15H H 0.3389 0.5876 0.2801 0.128 Uiso 0.6 1 calc R U P F 1
C156 C 0.4271(6) 0.6267(4) 0.3085(5) 0.107(4) Uani 0.6 1 d D . P F 1
H15I H 0.4718 0.6053 0.3007 0.128 Uiso 0.6 1 calc R U P F 1
C157 C 0.4407(4) 0.6687(5) 0.3322(5) 0.107(4) Uani 0.6 1 d D . P F 1
H15J H 0.4946 0.6758 0.3405 0.128 Uiso 0.6 1 calc R U P F 1
C158 C 0.3751(3) 0.7002(4) 0.3436(4) 0.107(4) Uani 0.6 1 d D . P F 1
H15K H 0.3842 0.7287 0.3597 0.128 Uiso 0.6 1 calc R U P F 1
C15A C 0.2694(4) 0.6951(3) 0.3076(2) 0.107(4) Uani 0.4 1 d D . P F 2
C15B C 0.2615(9) 0.6373(3) 0.3142(5) 0.107(4) Uani 0.4 1 d D . P F 2
H15L H 0.2257 0.6164 0.3389 0.128 Uiso 0.4 1 calc R U P F 2
C15C C 0.3064(10) 0.6101(5) 0.2844(6) 0.107(4) Uani 0.4 1 d D . P F 2
H15M H 0.3010 0.5707 0.2889 0.128 Uiso 0.4 1 calc R U P F 2
C15D C 0.3590(8) 0.6409(6) 0.2480(5) 0.107(4) Uani 0.4 1 d D . P F 2
H15N H 0.3896 0.6224 0.2278 0.128 Uiso 0.4 1 calc R U P F 2
C15E C 0.3669(10) 0.6988(6) 0.2414(5) 0.107(4) Uani 0.4 1 d D . P F 2
H15O H 0.4028 0.7197 0.2167 0.128 Uiso 0.4 1 calc R U P F 2
C15F C 0.3220(8) 0.7259(4) 0.2713(4) 0.107(4) Uani 0.4 1 d D . P F 2
H15P H 0.3274 0.7653 0.2668 0.128 Uiso 0.4 1 calc R U P F 2
C159 C 0.1966(2) 0.79483(19) 0.3014(2) 0.153(4) Uani 1 1 d D . . . .
C160 C 0.1744(6) 0.7938(3) 0.2552(2) 0.153(4) Uani 1 1 d D . . . .
H16A H 0.1672 0.7589 0.2473 0.183 Uiso 1 1 calc R U . . .
C161 C 0.1627(7) 0.8441(4) 0.2205(3) 0.153(4) Uani 1 1 d D . . . .
H16B H 0.1476 0.8435 0.1890 0.183 Uiso 1 1 calc R U . . .
C162 C 0.1733(5) 0.8952(3) 0.2321(4) 0.153(4) Uani 1 1 d D . . . .
H16C H 0.1653 0.9294 0.2085 0.183 Uiso 1 1 calc R U . . .
C163 C 0.1956(7) 0.8963(2) 0.2783(4) 0.153(4) Uani 1 1 d D . . . .
H16D H 0.2029 0.9311 0.2861 0.183 Uiso 1 1 calc R U . . .
C164 C 0.2073(6) 0.84595(16) 0.3130(3) 0.153(4) Uani 1 1 d D . . . .
H16E H 0.2225 0.8466 0.3445 0.183 Uiso 1 1 calc R U . . .
P3 P 0.72193(19) 0.78418(11) 0.15407(10) 0.0606(8) Uani 1 1 d D . . . .
P4 P 0.6559(2) 0.83067(11) 0.23456(11) 0.0700(10) Uani 1 1 d D . . . .
N2 N 0.7091(7) 0.8219(4) 0.1904(3) 0.076(3) Uani 1 1 d . . . . .
C165 C 0.8293(3) 0.76984(17) 0.1482(4) 0.128(3) Uani 1 1 d D . . . .
C166 C 0.8786(6) 0.7721(4) 0.1863(3) 0.128(3) Uani 1 1 d D . . . .
H16F H 0.8552 0.7810 0.2142 0.153 Uiso 1 1 calc R U . . .
C167 C 0.9624(5) 0.7613(5) 0.1833(4) 0.128(3) Uani 1 1 d D . . . .
H16G H 0.9960 0.7628 0.2093 0.153 Uiso 1 1 calc R U . . .
C168 C 0.9967(3) 0.7482(4) 0.1423(4) 0.128(3) Uani 1 1 d D . . . .
H16H H 1.0537 0.7408 0.1403 0.153 Uiso 1 1 calc R U . . .
C169 C 0.9474(6) 0.7459(5) 0.1042(3) 0.128(3) Uani 1 1 d D . . . .
H16I H 0.9708 0.7370 0.0763 0.153 Uiso 1 1 calc R U . . .
C170 C 0.8636(5) 0.7568(4) 0.1071(4) 0.128(3) Uani 1 1 d D . . . .
H17A H 0.8299 0.7552 0.0812 0.153 Uiso 1 1 calc R U . . .
C171 C 0.6706(5) 0.7179(2) 0.17413(17) 0.107(2) Uani 1 1 d D . . . .
C172 C 0.7106(5) 0.6700(3) 0.1997(3) 0.107(2) Uani 1 1 d D . . . .
H17B H 0.7666 0.6720 0.2070 0.128 Uiso 1 1 calc R U . . .
C173 C 0.6682(6) 0.6192(3) 0.2147(3) 0.107(2) Uani 1 1 d D . . . .
H17C H 0.6953 0.5865 0.2321 0.128 Uiso 1 1 calc R U . . .
C174 C 0.5860(6) 0.6166(3) 0.2039(3) 0.107(2) Uani 1 1 d D . . . .
H17D H 0.5571 0.5820 0.2141 0.128 Uiso 1 1 calc R U . . .
C175 C 0.5461(5) 0.6644(4) 0.1783(4) 0.107(2) Uani 1 1 d D . . . .
H17E H 0.4901 0.6625 0.1710 0.128 Uiso 1 1 calc R U . . .
C176 C 0.5886(6) 0.7153(3) 0.1633(3) 0.107(2) Uani 1 1 d D . . . .
H17F H 0.5616 0.7480 0.1458 0.128 Uiso 1 1 calc R U . . .
C177 C 0.7007(2) 0.8226(3) 0.09385(15) 0.092(2) Uani 1 1 d D . . . .
C178 C 0.6957(5) 0.7949(2) 0.0573(3) 0.092(2) Uani 1 1 d D . . . .
H17G H 0.7035 0.7554 0.0641 0.111 Uiso 1 1 calc R U . . .
C179 C 0.6791(6) 0.8252(3) 0.0106(2) 0.092(2) Uani 1 1 d D . . . .
H17H H 0.6756 0.8064 -0.0144 0.111 Uiso 1 1 calc R U . . .
C180 C 0.6676(5) 0.8832(3) 0.00063(19) 0.092(2) Uani 1 1 d D . . . .
H18A H 0.6563 0.9039 -0.0312 0.111 Uiso 1 1 calc R U . . .
C181 C 0.6726(6) 0.9108(2) 0.0373(3) 0.092(2) Uani 1 1 d D . . . .
H18B H 0.6647 0.9503 0.0305 0.111 Uiso 1 1 calc R U . . .
C182 C 0.6891(6) 0.8804(3) 0.0840(2) 0.092(2) Uani 1 1 d D . . . .
H18C H 0.6925 0.8992 0.1090 0.111 Uiso 1 1 calc R U . . .
C183 C 0.6959(4) 0.89152(14) 0.2497(2) 0.0769(16) Uani 1 1 d D . . . .
C184 C 0.6588(4) 0.9119(3) 0.2864(3) 0.0769(16) Uani 1 1 d D . . . .
H18D H 0.6118 0.8936 0.3038 0.092 Uiso 1 1 calc R U . . .
C185 C 0.6908(5) 0.9593(3) 0.2977(3) 0.0769(16) Uani 1 1 d D . . . .
H18E H 0.6656 0.9733 0.3227 0.092 Uiso 1 1 calc R U . . .
C186 C 0.7598(5) 0.9861(2) 0.2722(3) 0.0769(16) Uani 1 1 d D . . . .
H18F H 0.7815 1.0183 0.2799 0.092 Uiso 1 1 calc R U . . .
C187 C 0.7968(4) 0.9657(3) 0.2356(3) 0.0769(16) Uani 1 1 d D . . . .
H18G H 0.8438 0.9840 0.2183 0.092 Uiso 1 1 calc R U . . .
C188 C 0.7648(4) 0.9183(3) 0.2243(2) 0.0769(16) Uani 1 1 d D . . . .
H18H H 0.7900 0.9044 0.1993 0.092 Uiso 1 1 calc R U . . .
C189 C 0.6721(4) 0.7753(3) 0.2882(2) 0.080(2) Uani 0.7 1 d D . P G 1
C190 C 0.7158(6) 0.7847(3) 0.3264(3) 0.080(2) Uani 0.7 1 d D . P G 1
H19A H 0.7378 0.8208 0.3244 0.096 Uiso 0.7 1 calc R U P G 1
C191 C 0.7272(7) 0.7411(4) 0.3673(3) 0.080(2) Uani 0.7 1 d D . P G 1
H19B H 0.7569 0.7476 0.3932 0.096 Uiso 0.7 1 calc R U P G 1
C192 C 0.6949(7) 0.6880(4) 0.3703(3) 0.080(2) Uani 0.7 1 d D . P G 1
H19C H 0.7027 0.6583 0.3982 0.096 Uiso 0.7 1 calc R U P G 1
C193 C 0.6513(8) 0.6785(3) 0.3322(4) 0.080(2) Uani 0.7 1 d D . P G 1
H19D H 0.6293 0.6424 0.3342 0.096 Uiso 0.7 1 calc R U P G 1
C194 C 0.6399(6) 0.7221(4) 0.2913(3) 0.080(2) Uani 0.7 1 d D . P G 1
H19E H 0.6101 0.7156 0.2654 0.096 Uiso 0.7 1 calc R U P G 1
C18A C 0.6237(8) 0.7658(2) 0.2756(3) 0.080(2) Uani 0.3 1 d D . P G 2
C19A C 0.6823(9) 0.7529(6) 0.3108(6) 0.080(2) Uani 0.3 1 d D . P G 2
H19F H 0.7278 0.7772 0.3093 0.096 Uiso 0.3 1 calc R U P G 2
C19B C 0.6742(13) 0.7043(8) 0.3482(6) 0.080(2) Uani 0.3 1 d D . P G 2
H19G H 0.7142 0.6955 0.3722 0.096 Uiso 0.3 1 calc R U P G 2
C19C C 0.6074(14) 0.6686(5) 0.3504(5) 0.080(2) Uani 0.3 1 d D . P G 2
H19H H 0.6019 0.6355 0.3759 0.096 Uiso 0.3 1 calc R U P G 2
C19D C 0.5487(12) 0.6815(6) 0.3152(7) 0.080(2) Uani 0.3 1 d D . P G 2
H19I H 0.5033 0.6572 0.3167 0.096 Uiso 0.3 1 calc R U P G 2
C19E C 0.5569(10) 0.7301(6) 0.2778(6) 0.080(2) Uani 0.3 1 d D . P G 2
H19J H 0.5169 0.7389 0.2538 0.096 Uiso 0.3 1 calc R U P G 2
C195 C 0.5489(3) 0.8439(3) 0.2258(4) 0.096(3) Uani 0.5 1 d D . P G 1
C196 C 0.5259(6) 0.8787(5) 0.1820(4) 0.096(3) Uani 0.5 1 d D . P G 1
H19K H 0.5665 0.8947 0.1580 0.115 Uiso 0.5 1 calc R U P G 1
C197 C 0.4432(8) 0.8902(6) 0.1736(5) 0.096(3) Uani 0.5 1 d D . P G 1
H19L H 0.4274 0.9140 0.1438 0.115 Uiso 0.5 1 calc R U P G 1
C198 C 0.3838(4) 0.8668(6) 0.2089(6) 0.096(3) Uani 0.5 1 d D . P G 1
H19M H 0.3275 0.8746 0.2032 0.115 Uiso 0.5 1 calc R U P G 1
C199 C 0.4068(5) 0.8319(7) 0.2527(5) 0.096(3) Uani 0.5 1 d D . P G 1
H19N H 0.3663 0.8160 0.2768 0.115 Uiso 0.5 1 calc R U P G 1
C200 C 0.4896(7) 0.8204(5) 0.2612(4) 0.096(3) Uani 0.5 1 d D . P G 1
H20A H 0.5054 0.7967 0.2910 0.115 Uiso 0.5 1 calc R U P G 1
C19F C 0.5418(7) 0.8502(3) 0.2140(5) 0.096(3) Uani 0.5 1 d D . P G 2
C19G C 0.5165(10) 0.8415(5) 0.1706(5) 0.096(3) Uani 0.5 1 d D . P G 2
H19O H 0.5536 0.8262 0.1509 0.115 Uiso 0.5 1 calc R U P G 2
C19H C 0.4368(11) 0.8550(7) 0.1560(5) 0.096(3) Uani 0.5 1 d D . P G 2
H19P H 0.4197 0.8490 0.1264 0.115 Uiso 0.5 1 calc R U P G 2
C19I C 0.3823(8) 0.8773(5) 0.1848(6) 0.096(3) Uani 0.5 1 d D . P G 2
H19Q H 0.3280 0.8866 0.1748 0.115 Uiso 0.5 1 calc R U P G 2
C19J C 0.4075(9) 0.8861(6) 0.2282(6) 0.096(3) Uani 0.5 1 d D . P G 2
H19R H 0.3704 0.9013 0.2478 0.115 Uiso 0.5 1 calc R U P G 2
C20E C 0.4872(10) 0.8726(6) 0.2428(5) 0.096(3) Uani 0.5 1 d D . P G 2
H20B H 0.5043 0.8785 0.2724 0.115 Uiso 0.5 1 calc R U P G 2
O47 O 1.1026(6) 0.8137(5) 0.8971(4) 0.123(2) Uani 1 1 d D . . . .
H47O H 1.0592 0.8001 0.8853 0.184 Uiso 1 1 d R U . . .
C201 C 1.1535(8) 0.8302(8) 0.8543(4) 0.123(2) Uani 1 1 d D . . . .
H20C H 1.1239 0.8579 0.8295 0.147 Uiso 1 1 calc R U . . .
H20D H 1.1652 0.7970 0.8416 0.147 Uiso 1 1 calc R U . . .
C202 C 1.2341(7) 0.8559(7) 0.8635(6) 0.123(2) Uani 1 1 d D . . . .
H20E H 1.2668 0.8672 0.8333 0.184 Uiso 1 1 calc R U . . .
H20F H 1.2646 0.8281 0.8871 0.184 Uiso 1 1 calc R U . . .
H20G H 1.2228 0.8888 0.8760 0.184 Uiso 1 1 calc R U . . .
O48 O 1.1097(11) 0.8198(9) 0.9843(8) 0.124(5) Uani 0.5 1 d D . P . .
H48O H 1.1162 0.8210 0.9528 0.187 Uiso 0.5 1 d R U P . .
C203 C 1.1433(14) 0.7702(11) 1.0146(8) 0.124(5) Uani 0.5 1 d D . P . .
H20H H 1.1034 0.7390 1.0191 0.149 Uiso 0.5 1 calc R U P . .
H20I H 1.1527 0.7767 1.0467 0.149 Uiso 0.5 1 calc R U P . .
C204 C 1.2238(14) 0.7533(13) 0.9936(11) 0.124(5) Uani 0.5 1 d D . P . .
H20J H 1.2440 0.7186 1.0149 0.187 Uiso 0.5 1 calc R U P . .
H20K H 1.2643 0.7833 0.9906 0.187 Uiso 0.5 1 calc R U P . .
H20L H 1.2148 0.7472 0.9618 0.187 Uiso 0.5 1 calc R U P . .
O49 O 0.4121(11) 0.6786(9) 0.5665(7) 0.123(2) Uani 0.7 1 d D . P H 1
H49A H 0.4419 0.6889 0.5886 0.184 Uiso 0.7 1 d R U P H 1
C205 C 0.3560(14) 0.6352(7) 0.5901(8) 0.123(2) Uani 0.7 1 d D . P H 1
H20M H 0.3869 0.6002 0.6031 0.147 Uiso 0.7 1 calc R U P H 1
H20N H 0.3180 0.6279 0.5663 0.147 Uiso 0.7 1 calc R U P H 1
C206 C 0.3068(12) 0.6507(11) 0.6310(8) 0.123(2) Uani 0.7 1 d D . P H 1
H20O H 0.2683 0.6203 0.6458 0.184 Uiso 0.7 1 calc R U P H 1
H20P H 0.2763 0.6854 0.6183 0.184 Uiso 0.7 1 calc R U P H 1
H20Q H 0.3441 0.6564 0.6553 0.184 Uiso 0.7 1 calc R U P H 1
O49A O 0.395(2) 0.685(2) 0.5800(18) 0.123(2) Uani 0.3 1 d D . P I 2
H49B H 0.4433 0.6929 0.5905 0.184 Uiso 0.3 1 d R U P I 2
C20A C 0.341(3) 0.660(3) 0.6200(13) 0.123(2) Uani 0.3 1 d D . P I 2
H20R H 0.3272 0.6880 0.6384 0.147 Uiso 0.3 1 calc R U P I 2
H20S H 0.3691 0.6282 0.6417 0.147 Uiso 0.3 1 calc R U P I 2
C20B C 0.262(2) 0.639(2) 0.604(2) 0.123(2) Uani 0.3 1 d D . P I 2
H20T H 0.2252 0.6242 0.6320 0.184 Uiso 0.3 1 calc R U P I 2
H20U H 0.2749 0.6084 0.5882 0.184 Uiso 0.3 1 calc R U P I 2
H20V H 0.2352 0.6694 0.5812 0.184 Uiso 0.3 1 calc R U P I 2
O50 O 0.187(2) 0.661(2) 0.1984(13) 0.124(5) Uani 0.25 1 d D . P J 1
H50A H 0.1799 0.6232 0.2090 0.187 Uiso 0.25 1 d R U P J 1
C207 C 0.243(3) 0.6611(19) 0.1591(17) 0.124(5) Uani 0.25 1 d D . P J 1
H20W H 0.2133 0.6545 0.1317 0.149 Uiso 0.25 1 calc R U P J 1
H20X H 0.2831 0.6302 0.1690 0.149 Uiso 0.25 1 calc R U P J 1
C208 C 0.290(3) 0.717(2) 0.1428(19) 0.124(5) Uani 0.25 1 d D . P J 1
H20Y H 0.3343 0.7131 0.1201 0.187 Uiso 0.25 1 calc R U P J 1
H20Z H 0.3121 0.7264 0.1708 0.187 Uiso 0.25 1 calc R U P J 1
H21A H 0.2520 0.7463 0.1270 0.187 Uiso 0.25 1 calc R U P J 1
O50A O 0.173(2) 0.7423(17) 0.1654(15) 0.124(5) Uani 0.25 1 d D . P K 2
H50B H 0.1338 0.7607 0.1464 0.187 Uiso 0.25 1 d R U P K 2
C20C C 0.230(3) 0.713(2) 0.1414(13) 0.124(5) Uani 0.25 1 d D . P K 2
H21B H 0.2743 0.7390 0.1256 0.149 Uiso 0.25 1 calc R U P K 2
H21C H 0.2014 0.7005 0.1161 0.149 Uiso 0.25 1 calc R U P K 2
C20D C 0.267(3) 0.6623(19) 0.176(2) 0.124(5) Uani 0.25 1 d D . P K 2
H21D H 0.3060 0.6439 0.1585 0.187 Uiso 0.25 1 calc R U P K 2
H21E H 0.2231 0.6358 0.1910 0.187 Uiso 0.25 1 calc R U P K 2
H21F H 0.2950 0.6746 0.2013 0.187 Uiso 0.25 1 calc R U P K 2
O51 O 0.484(2) 0.789(2) -0.0027(12) 0.124(5) Uani 0.25 1 d D . P L 1
H51A H 0.5051 0.8132 -0.0293 0.187 Uiso 0.25 1 d R U P L 1
C209 C 0.472(4) 0.8132(17) 0.0374(15) 0.124(5) Uani 0.25 1 d D . P L 1
H21G H 0.4298 0.8427 0.0298 0.149 Uiso 0.25 1 calc R U P L 1
H21H H 0.5239 0.8312 0.0428 0.149 Uiso 0.25 1 calc R U P L 1
C210 C 0.446(4) 0.770(3) 0.0832(12) 0.124(5) Uani 0.25 1 d D . P L 1
H21I H 0.4464 0.7865 0.1107 0.187 Uiso 0.25 1 calc R U P L 1
H21J H 0.4842 0.7378 0.0886 0.187 Uiso 0.25 1 calc R U P L 1
H21K H 0.3906 0.7562 0.0800 0.187 Uiso 0.25 1 calc R U P L 1
O51A O 0.441(2) 0.8243(15) 0.0187(15) 0.124(5) Uani 0.25 1 d D . P M 2
H51B H 0.4391 0.8401 -0.0132 0.187 Uiso 0.25 1 d R U P M 2
C20F C 0.441(4) 0.7660(16) 0.0192(14) 0.124(5) Uani 0.25 1 d D . P M 2
H21L H 0.4883 0.7586 -0.0012 0.149 Uiso 0.25 1 calc R U P M 2
H21M H 0.3905 0.7566 0.0053 0.149 Uiso 0.25 1 calc R U P M 2
C21A C 0.448(4) 0.7286(18) 0.0700(17) 0.124(5) Uani 0.25 1 d D . P M 2
H21N H 0.4531 0.6893 0.0687 0.187 Uiso 0.25 1 calc R U P M 2
H21O H 0.3993 0.7331 0.0895 0.187 Uiso 0.25 1 calc R U P M 2
H21P H 0.4969 0.7394 0.0847 0.187 Uiso 0.25 1 calc R U P M 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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
O7 Cu1 O12 97.3(3) . . ?
O7 Cu1 O13 90.6(3) . . ?
O12 Cu1 O13 170.7(2) . . ?
O7 Cu1 O30 174.0(3) . . ?
O12 Cu1 O30 79.1(2) . . ?
O13 Cu1 O30 92.6(2) . . ?
O8 Cu2 O9 99.5(3) . . ?
O8 Cu2 O17 89.3(3) . . ?
O9 Cu2 O17 170.4(3) . . ?
O8 Cu2 O27 173.8(3) . . ?
O9 Cu2 O27 80.2(2) . . ?
O17 Cu2 O27 90.6(2) . . ?
O10 Cu3 O28 91.5(3) . . ?
O10 Cu3 O9 95.1(3) . . ?
O28 Cu3 O9 172.9(3) . . ?
O10 Cu3 O27 169.6(3) . . ?
O28 Cu3 O27 95.0(3) . . ?
O9 Cu3 O27 78.9(2) . . ?
O11 Cu4 O29 88.9(3) . . ?
O11 Cu4 O12 95.6(3) . . ?
O29 Cu4 O12 174.0(3) . . ?
O11 Cu4 O30 169.9(3) . . ?
O29 Cu4 O30 97.7(2) . . ?
O12 Cu4 O30 78.4(2) . . ?
O26 Cu5 O22 90.3(3) . . ?
O26 Cu5 O17 179.2(3) . . ?
O22 Cu5 O17 89.2(3) . . ?
O26 Cu5 O13 89.4(2) . . ?
O22 Cu5 O13 179.6(3) . . ?
O17 Cu5 O13 91.1(2) . . ?
O37 Cu6 O42 97.6(3) . . ?
O37 Cu6 O22 90.1(3) . . ?
O42 Cu6 O22 171.1(3) . . ?
O37 Cu6 O21 173.3(3) . . ?
O42 Cu6 O21 79.4(3) . . ?
O22 Cu6 O21 92.4(2) . . ?
O38 Cu7 O26 90.9(3) . . ?
O38 Cu7 O39 98.2(3) . . ?
O26 Cu7 O39 169.2(3) . . ?
O38 Cu7 O18 176.2(3) . . ?
O26 Cu7 O18 91.4(2) . . ?
O39 Cu7 O18 79.3(2) . . ?
O19 Cu8 O40 89.6(3) . . ?
O19 Cu8 O39 174.3(3) . . ?
O40 Cu8 O39 95.4(3) . . ?
O19 Cu8 O18 96.6(3) . . ?
O40 Cu8 O18 170.2(3) . . ?
O39 Cu8 O18 78.8(2) . . ?
O41 Cu9 O20 88.8(3) . . ?
O41 Cu9 O21 171.0(3) . . ?
O20 Cu9 O21 96.6(3) . . ?
O41 Cu9 O42 96.2(3) . . ?
O20 Cu9 O42 174.6(3) . . ?
O21 Cu9 O42 78.7(3) . . ?
O7 Si1 O1 114.3(4) . . ?
O7 Si1 O6 110.4(3) . . ?
O1 Si1 O6 107.0(4) . . ?
O7 Si1 C1 109.8(4) . . ?
O1 Si1 C1 109.1(4) . . ?
O6 Si1 C1 105.8(3) . . ?
O7 Si1 C1A 121.7(4) . . ?
O1 Si1 C1A 106.2(5) . . ?
O6 Si1 C1A 94.8(3) . . ?
O8 Si2 O1 111.5(3) . . ?
O8 Si2 O2 111.6(4) . . ?
O1 Si2 O2 107.2(4) . . ?
O8 Si2 C7 111.5(4) . . ?
O1 Si2 C7 106.7(3) . . ?
O2 Si2 C7 108.1(3) . . ?
O3 Si3 O2 109.4(4) . . ?
O3 Si3 O9 109.0(4) . . ?
O2 Si3 O9 110.3(3) . . ?
O3 Si3 C13 109.4(3) . . ?
O2 Si3 C13 109.3(4) . . ?
O9 Si3 C13 109.4(3) . . ?
O10 Si4 O4 112.2(4) . . ?
O10 Si4 O3 111.6(4) . . ?
O4 Si4 O3 107.7(4) . . ?
O10 Si4 C19 115.5(3) . . ?
O4 Si4 C19 107.8(4) . . ?
O3 Si4 C19 101.2(4) . . ?
O11 Si5 O4 111.8(4) . . ?
O11 Si5 O5 112.2(3) . . ?
O4 Si5 O5 107.9(4) . . ?
O11 Si5 C25 112.2(4) . . ?
O4 Si5 C25 105.9(3) . . ?
O5 Si5 C25 106.4(3) . . ?
O6 Si6 O5 109.7(4) . . ?
O6 Si6 O12 110.2(4) . . ?
O5 Si6 O12 109.4(3) . . ?
O6 Si6 C31 108.8(3) . . ?
O5 Si6 C31 109.9(3) . . ?
O12 Si6 C31 108.9(3) . . ?
O18 Si7 O13 109.7(3) . . ?
O18 Si7 O14 109.4(3) . . ?
O13 Si7 O14 105.5(3) . . ?
O18 Si7 C37 111.1(3) . . ?
O13 Si7 C37 112.2(3) . . ?
O14 Si7 C37 108.7(2) . . ?
O19 Si8 O15 111.8(3) . . ?
O19 Si8 O14 110.4(3) . . ?
O15 Si8 O14 107.8(3) . . ?
O19 Si8 C43 115.0(3) . . ?
O15 Si8 C43 103.8(3) . . ?
O14 Si8 C43 107.5(3) . . ?
O20 Si9 O16 110.1(3) . . ?
O20 Si9 O15 111.9(3) . . ?
O16 Si9 O15 106.1(3) . . ?
O20 Si9 C49 113.8(3) . . ?
O16 Si9 C49 107.7(3) . . ?
O15 Si9 C49 106.7(3) . . ?
O17 Si10 O21 109.4(3) . . ?
O17 Si10 O16 105.1(3) . . ?
O21 Si10 O16 108.7(3) . . ?
O17 Si10 C55 115.7(3) . . ?
O21 Si10 C55 111.3(4) . . ?
O16 Si10 C55 106.2(3) . . ?
O27 Si11 O22 109.7(3) . . ?
O27 Si11 O23 108.8(3) . . ?
O22 Si11 O23 105.4(3) . . ?
O27 Si11 C61 110.5(3) . . ?
O22 Si11 C61 111.0(3) . . ?
O23 Si11 C61 111.4(3) . . ?
O28 Si12 O23 111.0(3) . . ?
O28 Si12 O24 111.2(4) . . ?
O23 Si12 O24 107.6(3) . . ?
O28 Si12 C67 115.1(3) . . ?
O23 Si12 C67 106.3(3) . . ?
O24 Si12 C67 105.2(3) . . ?
O29 Si13 O24 112.4(4) . . ?
O29 Si13 O25 110.6(3) . . ?
O24 Si13 O25 107.0(3) . . ?
O29 Si13 C73 109.7(3) . . ?
O24 Si13 C73 107.7(3) . . ?
O25 Si13 C73 109.3(3) . . ?
O26 Si14 O30 109.1(3) . . ?
O26 Si14 O25 106.3(3) . . ?
O30 Si14 O25 109.1(3) . . ?
O26 Si14 C79 112.8(3) . . ?
O30 Si14 C79 112.2(3) . . ?
O25 Si14 C79 107.2(3) . . ?
O37 Si15 O31 113.7(3) . . ?
O37 Si15 O36 110.8(4) . . ?
O31 Si15 O36 106.7(4) . . ?
O37 Si15 C85 109.8(4) . . ?
O31 Si15 C85 106.6(3) . . ?
O36 Si15 C85 109.2(3) . . ?
O38 Si16 O31 113.9(3) . . ?
O38 Si16 O32 110.7(3) . . ?
O31 Si16 O32 107.7(4) . . ?
O38 Si16 C91 110.0(3) . . ?
O31 Si16 C91 107.2(3) . . ?
O32 Si16 C91 106.9(3) . . ?
O38 Si16 C91A 113.1(4) . . ?
O31 Si16 C91A 97.8(4) . . ?
O32 Si16 C91A 112.9(3) . . ?
O39 Si17 O33 109.8(4) . . ?
O39 Si17 O32 110.0(4) . . ?
O33 Si17 O32 109.6(4) . . ?
O39 Si17 C97 109.7(3) . . ?
O33 Si17 C97 109.0(4) . . ?
O32 Si17 C97 108.7(3) . . ?
O40 Si18 O33 111.0(4) . . ?
O40 Si18 O34 113.8(4) . . ?
O33 Si18 O34 107.8(4) . . ?
O40 Si18 C103 112.4(4) . . ?
O33 Si18 C103 103.1(3) . . ?
O34 Si18 C103 108.0(4) . . ?
O34 Si19 O41 110.7(4) . . ?
O34 Si19 O35 109.8(4) . . ?
O41 Si19 O35 112.1(4) . . ?
O34 Si19 C109 109.5(4) . . ?
O41 Si19 C109 107.3(3) . . ?
O35 Si19 C109 107.2(4) . . ?
O35 Si20 O36 110.6(4) . . ?
O35 Si20 O42 108.6(4) . . ?
O36 Si20 O42 110.4(4) . . ?
O35 Si20 C115 111.4(3) . . ?
O36 Si20 C115 106.5(4) . . ?
O42 Si20 C115 109.4(3) . . ?
O43 Na1 O7 108.8(3) . . ?
O43 Na1 O8 106.7(3) . . ?
O7 Na1 O8 87.5(2) . . ?
O43 Na1 O13 141.6(3) . . ?
O7 Na1 O13 66.3(2) . . ?
O8 Na1 O13 111.0(2) . . ?
O43 Na1 O16 84.4(3) . . ?
O7 Na1 O16 166.1(2) . . ?
O8 Na1 O16 93.0(2) . . ?
O13 Na1 O16 100.6(2) . . ?
O43 Na1 O17 141.8(3) . . ?
O7 Na1 O17 107.9(2) . . ?
O8 Na1 O17 64.7(2) . . ?
O13 Na1 O17 65.5(2) . . ?
O16 Na1 O17 60.2(2) . . ?
O43 Na1 O14 84.3(3) . . ?
O7 Na1 O14 96.2(2) . . ?
O8 Na1 O14 166.6(2) . . ?
O13 Na1 O14 59.6(2) . . ?
O16 Na1 O14 80.3(2) . . ?
O17 Na1 O14 102.0(2) . . ?
O28 Na2 O44 120.5(7) . . ?
O28 Na2 O11 123.4(3) . . ?
O44 Na2 O11 113.6(8) . . ?
O28 Na2 O44A 118.6(8) . . ?
O11 Na2 O44A 117.8(8) . . ?
O28 Na2 O10 70.1(2) . . ?
O44 Na2 O10 131.6(5) . . ?
O11 Na2 O10 86.7(3) . . ?
O44A Na2 O10 118.6(5) . . ?
O28 Na2 O29 88.5(2) . . ?
O44 Na2 O29 100.8(5) . . ?
O11 Na2 O29 65.6(2) . . ?
O44A Na2 O29 113.9(5) . . ?
O10 Na2 O29 127.4(3) . . ?
O45 Na3 O37 111.6(4) . . ?
O45A Na3 O37 96.6(6) . . ?
O45 Na3 O38 110.2(6) . . ?
O45A Na3 O38 95.7(6) . . ?
O37 Na3 O38 85.7(2) . . ?
O45 Na3 O22 140.5(6) . . ?
O45A Na3 O22 148.0(7) . . ?
O37 Na3 O22 66.2(2) . . ?
O38 Na3 O22 108.9(2) . . ?
O45 Na3 O25 82.1(4) . . ?
O45A Na3 O25 98.0(6) . . ?
O37 Na3 O25 165.2(2) . . ?
O38 Na3 O25 95.1(2) . . ?
O22 Na3 O25 99.7(2) . . ?
O45 Na3 O26 140.7(5) . . ?
O45A Na3 O26 147.5(7) . . ?
O37 Na3 O26 106.9(2) . . ?
O38 Na3 O26 64.9(2) . . ?
O22 Na3 O26 64.2(2) . . ?
O25 Na3 O26 60.7(2) . . ?
O45 Na3 O23 82.8(6) . . ?
O45A Na3 O23 98.7(6) . . ?
O37 Na3 O23 96.2(2) . . ?
O38 Na3 O23 165.2(2) . . ?
O22 Na3 O23 59.2(2) . . ?
O25 Na3 O23 79.3(2) . . ?
O26 Na3 O23 100.6(2) . . ?
O46 Na4 O40 132.1(4) . . ?
O46A Na4 O40 71.8(7) . . ?
O46 Na4 O19 129.3(4) . . ?
O46A Na4 O19 67.8(6) . . ?
O40 Na4 O19 67.7(2) . . ?
O46 Na4 O41 104.7(4) . . ?
O46A Na4 O41 149.2(8) . . ?
O40 Na4 O41 86.7(3) . . ?
O19 Na4 O41 124.5(3) . . ?
O46 Na4 O20 102.1(4) . . ?
O46A Na4 O20 145.3(8) . . ?
O40 Na4 O20 124.4(3) . . ?
O19 Na4 O20 89.2(2) . . ?
O41 Na4 O20 65.3(2) . . ?
Si1 O1 Si2 142.7(4) . . ?
Si3 O2 Si2 131.8(4) . . ?
Si3 O3 Si4 130.7(4) . . ?
Si4 O4 Si5 142.8(5) . . ?
Si6 O5 Si5 128.7(4) . . ?
Si6 O6 Si1 129.0(4) . . ?
Si1 O7 Cu1 132.5(4) . . ?
Si1 O7 Na1 114.7(3) . . ?
Cu1 O7 Na1 99.3(3) . . ?
Si2 O8 Cu2 129.2(4) . . ?
Si2 O8 Na1 115.7(3) . . ?
Cu2 O8 Na1 99.4(3) . . ?
Si3 O9 Cu2 128.9(4) . . ?
Si3 O9 Cu3 130.0(4) . . ?
Cu2 O9 Cu3 100.9(3) . . ?
Si4 O10 Cu3 131.0(4) . . ?
Si4 O10 Na2 123.1(4) . . ?
Cu3 O10 Na2 87.6(3) . . ?
Si5 O11 Cu4 130.7(4) . . ?
Si5 O11 Na2 123.5(4) . . ?
Cu4 O11 Na2 93.9(3) . . ?
Si6 O12 Cu1 126.2(4) . . ?
Si6 O12 Cu4 131.6(4) . . ?
Cu1 O12 Cu4 101.4(3) . . ?
Si7 O13 Cu1 133.6(4) . . ?
Si7 O13 Cu5 113.4(3) . . ?
Cu1 O13 Cu5 106.8(3) . . ?
Si7 O13 Na1 99.7(3) . . ?
Cu1 O13 Na1 93.4(2) . . ?
Cu5 O13 Na1 102.0(2) . . ?
Si7 O14 Si8 131.9(4) . . ?
Si7 O14 Na1 95.2(3) . . ?
Si8 O14 Na1 122.6(3) . . ?
Si8 O15 Si9 133.2(4) . . ?
Si10 O16 Si9 130.9(4) . . ?
Si10 O16 Na1 97.5(3) . . ?
Si9 O16 Na1 125.8(3) . . ?
Si10 O17 Cu2 132.0(4) . . ?
Si10 O17 Cu5 113.8(3) . . ?
Cu2 O17 Cu5 109.9(3) . . ?
Si10 O17 Na1 97.1(3) . . ?
Cu2 O17 Na1 93.1(2) . . ?
Cu5 O17 Na1 100.9(3) . . ?
Si7 O18 Cu8 128.9(3) . . ?
Si7 O18 Cu7 129.7(4) . . ?
Cu8 O18 Cu7 99.2(2) . . ?
Si8 O19 Cu8 134.5(4) . . ?
Si8 O19 Na4 117.3(3) . . ?
Cu8 O19 Na4 89.4(2) . . ?
Si9 O20 Cu9 134.2(4) . . ?
Si9 O20 Na4 116.0(3) . . ?
Cu9 O20 Na4 89.8(3) . . ?
Si10 O21 Cu9 128.6(4) . . ?
Si10 O21 Cu6 130.0(4) . . ?
Cu9 O21 Cu6 99.3(3) . . ?
Si11 O22 Cu5 113.3(3) . . ?
Si11 O22 Cu6 133.3(4) . . ?
Cu5 O22 Cu6 106.9(3) . . ?
Si11 O22 Na3 100.2(3) . . ?
Cu5 O22 Na3 103.0(3) . . ?
Cu6 O22 Na3 93.0(2) . . ?
Si12 O23 Si11 131.6(4) . . ?
Si12 O23 Na3 123.4(3) . . ?
Si11 O23 Na3 95.2(3) . . ?
Si13 O24 Si12 131.9(4) . . ?
Si13 O25 Si14 132.0(4) . . ?
Si13 O25 Na3 125.2(3) . . ?
Si14 O25 Na3 96.4(3) . . ?
Si14 O26 Cu7 132.8(4) . . ?
Si14 O26 Cu5 114.0(3) . . ?
Cu7 O26 Cu5 108.9(3) . . ?
Si14 O26 Na3 96.5(3) . . ?
Cu7 O26 Na3 92.9(2) . . ?
Cu5 O26 Na3 102.0(3) . . ?
Si11 O27 Cu2 128.3(4) . . ?
Si11 O27 Cu3 129.1(3) . . ?
Cu2 O27 Cu3 98.5(3) . . ?
Si12 O28 Cu3 135.3(4) . . ?
Si12 O28 Na2 120.6(4) . . ?
Cu3 O28 Na2 91.1(3) . . ?
Si13 O29 Cu4 132.9(4) . . ?
Si13 O29 Na2 115.6(3) . . ?
Cu4 O29 Na2 87.2(2) . . ?
Si14 O30 Cu4 128.9(3) . . ?
Si14 O30 Cu1 131.5(4) . . ?
Cu4 O30 Cu1 99.0(2) . . ?
Si16 O31 Si15 139.0(4) . . ?
Si17 O32 Si16 131.6(4) . . ?
Si17 O33 Si18 130.6(4) . . ?
Si19 O34 Si18 142.2(5) . . ?
Si20 O35 Si19 132.2(4) . . ?
Si20 O36 Si15 130.4(4) . . ?
Si15 O37 Cu6 133.3(4) . . ?
Si15 O37 Na3 115.0(3) . . ?
Cu6 O37 Na3 100.2(3) . . ?
Si16 O38 Cu7 131.5(4) . . ?
Si16 O38 Na3 113.9(3) . . ?
Cu7 O38 Na3 98.5(3) . . ?
Si17 O39 Cu7 129.1(4) . . ?
Si17 O39 Cu8 128.6(4) . . ?
Cu7 O39 Cu8 101.5(3) . . ?
Si18 O40 Cu8 133.1(4) . . ?
Si18 O40 Na4 120.7(4) . . ?
Cu8 O40 Na4 91.1(3) . . ?
Si19 O41 Cu9 131.6(5) . . ?
Si19 O41 Na4 122.0(4) . . ?
Cu9 O41 Na4 91.9(3) . . ?
Si20 O42 Cu6 127.0(4) . . ?
Si20 O42 Cu9 131.2(4) . . ?
Cu6 O42 Cu9 101.2(3) . . ?
C2 C1 C6 120.0(2) . . ?
C2 C1 Si1 122.3(6) . . ?
C6 C1 Si1 117.7(6) . . ?
C3 C2 C1 120.0(2) . . ?
C3 C2 H2A 120.0 . . ?
C1 C2 H2A 120.0 . . ?
C2 C3 C4 120.0(2) . . ?
C2 C3 H3A 120.0 . . ?
C4 C3 H3A 120.0 . . ?
C5 C4 C3 120.0(2) . . ?
C5 C4 H4A 120.0 . . ?
C3 C4 H4A 120.0 . . ?
C6 C5 C4 120.0(2) . . ?
C6 C5 H5A 120.0 . . ?
C4 C5 H5A 120.0 . . ?
C5 C6 C1 120.0(2) . . ?
C5 C6 H6A 120.0 . . ?
C1 C6 H6A 120.0 . . ?
C2A C1A C6A 120.0(2) . . ?
C2A C1A Si1 119.2(7) . . ?
C6A C1A Si1 120.8(7) . . ?
C1A C2A C3A 120.0(2) . . ?
C1A C2A H2B 120.0 . . ?
C3A C2A H2B 120.0 . . ?
C4A C3A C2A 120.0(2) . . ?
C4A C3A H3B 120.0 . . ?
C2A C3A H3B 120.0 . . ?
C5A C4A C3A 120.0(2) . . ?
C5A C4A H4B 120.0 . . ?
C3A C4A H4B 120.0 . . ?
C4A C5A C6A 120.0(2) . . ?
C4A C5A H5B 120.0 . . ?
C6A C5A H5B 120.0 . . ?
C5A C6A C1A 120.0(2) . . ?
C5A C6A H6B 120.0 . . ?
C1A C6A H6B 120.0 . . ?
C8 C7 C12 119.9(2) . . ?
C8 C7 Si2 120.7(5) . . ?
C12 C7 Si2 119.5(5) . . ?
C7 C8 C9 120.0(2) . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.0(2) . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0(2) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0(2) . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 120.1(2) . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C14 C13 C18 119.9(2) . . ?
C14 C13 Si3 121.0(5) . . ?
C18 C13 Si3 119.1(5) . . ?
C13 C14 C15 120.0(2) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.0(2) . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.0(2) . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C18 120.0(2) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C13 C18 C17 120.0(2) . . ?
C13 C18 H18 120.0 . . ?
C17 C18 H18 120.0 . . ?
C24 C19 C20 119.9(2) . . ?
C24 C19 Si4 120.1(6) . . ?
C20 C19 Si4 119.9(6) . . ?
C21 C20 C19 120.1(2) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.0(2) . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.0(2) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.0(2) . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
C19 C24 C23 120.0(2) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C30 C25 C26 120.0(2) . . ?
C30 C25 Si5 122.3(5) . . ?
C26 C25 Si5 117.8(5) . . ?
C27 C26 C25 120.1(2) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C26 C27 C28 120.0(2) . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C29 C28 C27 120.0(2) . . ?
C29 C28 H28 120.0 . . ?
C27 C28 H28 120.0 . . ?
C28 C29 C30 120.0(2) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C25 C30 C29 120.0(2) . . ?
C25 C30 H30 120.0 . . ?
C29 C30 H30 120.0 . . ?
C36 C31 C32 119.8(2) . . ?
C36 C31 Si6 121.0(4) . . ?
C32 C31 Si6 119.2(4) . . ?
C33 C32 C31 120.1(2) . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.1(2) . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C33 C34 C35 119.9(2) . . ?
C33 C34 H34 120.0 . . ?
C35 C34 H34 120.0 . . ?
C36 C35 C34 120.0(2) . . ?
C36 C35 H35 120.0 . . ?
C34 C35 H35 120.0 . . ?
C35 C36 C31 120.2(2) . . ?
C35 C36 H36 119.9 . . ?
C31 C36 H36 119.9 . . ?
C42 C37 C38 119.8(2) . . ?
C42 C37 Si7 121.3(4) . . ?
C38 C37 Si7 119.0(4) . . ?
C39 C38 C37 120.1(2) . . ?
C39 C38 H38 120.0 . . ?
C37 C38 H38 120.0 . . ?
C38 C39 C40 120.1(2) . . ?
C38 C39 H39 119.9 . . ?
C40 C39 H39 119.9 . . ?
C39 C40 C41 119.9(2) . . ?
C39 C40 H40 120.1 . . ?
C41 C40 H40 120.1 . . ?
C42 C41 C40 120.0(2) . . ?
C42 C41 H41 120.0 . . ?
C40 C41 H41 120.0 . . ?
C41 C42 C37 120.2(2) . . ?
C41 C42 H42 119.9 . . ?
C37 C42 H42 119.9 . . ?
C48 C43 C44 119.8(2) . . ?
C48 C43 Si8 119.9(4) . . ?
C44 C43 Si8 120.3(4) . . ?
C45 C44 C43 120.1(2) . . ?
C45 C44 H44 120.0 . . ?
C43 C44 H44 120.0 . . ?
C46 C45 C44 120.0(2) . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C47 C46 C45 119.9(2) . . ?
C47 C46 H46 120.0 . . ?
C45 C46 H46 120.0 . . ?
C46 C47 C48 120.1(2) . . ?
C46 C47 H47 120.0 . . ?
C48 C47 H47 120.0 . . ?
C47 C48 C43 120.1(2) . . ?
C47 C48 H48 120.0 . . ?
C43 C48 H48 120.0 . . ?
C50 C49 C54 119.9(2) . . ?
C50 C49 Si9 121.6(4) . . ?
C54 C49 Si9 118.4(4) . . ?
C51 C50 C49 120.1(2) . . ?
C51 C50 H50 120.0 . . ?
C49 C50 H50 120.0 . . ?
C50 C51 C52 119.9(2) . . ?
C50 C51 H51 120.0 . . ?
C52 C51 H51 120.0 . . ?
C53 C52 C51 120.0(2) . . ?
C53 C52 H52 120.0 . . ?
C51 C52 H52 120.0 . . ?
C54 C53 C52 120.0(2) . . ?
C54 C53 H53 120.0 . . ?
C52 C53 H53 120.0 . . ?
C53 C54 C49 120.0(2) . . ?
C53 C54 H54 120.0 . . ?
C49 C54 H54 120.0 . . ?
C60 C55 C56 120.0(2) . . ?
C60 C55 Si10 119.5(4) . . ?
C56 C55 Si10 120.5(4) . . ?
C57 C56 C55 120.0(2) . . ?
C57 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C58 C57 C56 120.0(2) . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C59 120.0(2) . . ?
C57 C58 H58 120.0 . . ?
C59 C58 H58 120.0 . . ?
C58 C59 C60 120.0(2) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C55 C60 C59 120.0(2) . . ?
C55 C60 H60 120.0 . . ?
C59 C60 H60 120.0 . . ?
C62 C61 C66 119.9(2) . . ?
C62 C61 Si11 118.6(4) . . ?
C66 C61 Si11 121.5(4) . . ?
C63 C62 C61 120.0(2) . . ?
C63 C62 H62 120.0 . . ?
C61 C62 H62 120.0 . . ?
C64 C63 C62 120.1(2) . . ?
C64 C63 H63 120.0 . . ?
C62 C63 H63 120.0 . . ?
C63 C64 C65 120.0(2) . . ?
C63 C64 H64 120.0 . . ?
C65 C64 H64 120.0 . . ?
C64 C65 C66 120.0(2) . . ?
C64 C65 H65 120.0 . . ?
C66 C65 H65 120.0 . . ?
C65 C66 C61 120.1(2) . . ?
C65 C66 H66 120.0 . . ?
C61 C66 H66 120.0 . . ?
C68 C67 C72 119.8(2) . . ?
C68 C67 Si12 119.5(5) . . ?
C72 C67 Si12 120.7(5) . . ?
C67 C68 C69 120.1(2) . . ?
C67 C68 H68 119.9 . . ?
C69 C68 H68 119.9 . . ?
C70 C69 C68 120.0(2) . . ?
C70 C69 H69 120.0 . . ?
C68 C69 H69 120.0 . . ?
C69 C70 C71 119.9(2) . . ?
C69 C70 H70 120.0 . . ?
C71 C70 H70 120.0 . . ?
C70 C71 C72 120.0(2) . . ?
C70 C71 H71 120.0 . . ?
C72 C71 H71 120.0 . . ?
C71 C72 C67 120.1(2) . . ?
C71 C72 H72 120.0 . . ?
C67 C72 H72 120.0 . . ?
C74 C73 C78 119.8(2) . . ?
C74 C73 Si13 123.0(4) . . ?
C78 C73 Si13 117.2(4) . . ?
C75 C74 C73 120.0(2) . . ?
C75 C74 H74 120.0 . . ?
C73 C74 H74 120.0 . . ?
C74 C75 C76 120.1(2) . . ?
C74 C75 H75 119.9 . . ?
C76 C75 H75 119.9 . . ?
C77 C76 C75 119.9(2) . . ?
C77 C76 H76 120.0 . . ?
C75 C76 H76 120.0 . . ?
C78 C77 C76 120.0(2) . . ?
C78 C77 H77 120.0 . . ?
C76 C77 H77 120.0 . . ?
C77 C78 C73 120.2(2) . . ?
C77 C78 H78 119.9 . . ?
C73 C78 H78 119.9 . . ?
C84 C79 C80 119.9(2) . . ?
C84 C79 Si14 122.0(4) . . ?
C80 C79 Si14 118.1(4) . . ?
C81 C80 C79 120.1(2) . . ?
C81 C80 H80 120.0 . . ?
C79 C80 H80 120.0 . . ?
C82 C81 C80 120.0(2) . . ?
C82 C81 H81 120.0 . . ?
C80 C81 H81 120.0 . . ?
C81 C82 C83 120.0(2) . . ?
C81 C82 H82 120.0 . . ?
C83 C82 H82 120.0 . . ?
C82 C83 C84 120.0(2) . . ?
C82 C83 H83 120.0 . . ?
C84 C83 H83 120.0 . . ?
C83 C84 C79 120.0(2) . . ?
C83 C84 H84 120.0 . . ?
C79 C84 H84 120.0 . . ?
C86 C85 C90 119.9(2) . . ?
C86 C85 Si15 121.6(5) . . ?
C90 C85 Si15 118.5(5) . . ?
C87 C86 C85 119.9(2) . . ?
C87 C86 H86 120.0 . . ?
C85 C86 H86 120.0 . . ?
C88 C87 C86 120.1(2) . . ?
C88 C87 H87 120.0 . . ?
C86 C87 H87 120.0 . . ?
C87 C88 C89 120.1(2) . . ?
C87 C88 H88 120.0 . . ?
C89 C88 H88 120.0 . . ?
C88 C89 C90 119.9(2) . . ?
C88 C89 H89 120.0 . . ?
C90 C89 H89 120.0 . . ?
C89 C90 C85 120.1(2) . . ?
C89 C90 H90 120.0 . . ?
C85 C90 H90 120.0 . . ?
C96 C91 C92 119.39(19) . . ?
C96 C91 Si16 120.2(2) . . ?
C92 C91 Si16 120.4(2) . . ?
C93 C92 C91 120.3(2) . . ?
C93 C92 H92A 119.9 . . ?
C91 C92 H92A 119.9 . . ?
C92 C93 C94 120.1(2) . . ?
C92 C93 H93A 119.9 . . ?
C94 C93 H93A 119.9 . . ?
C95 C94 C93 119.8(2) . . ?
C95 C94 H94A 120.1 . . ?
C93 C94 H94A 120.1 . . ?
C96 C95 C94 120.1(2) . . ?
C96 C95 H95A 119.9 . . ?
C94 C95 H95A 119.9 . . ?
C95 C96 C91 120.3(2) . . ?
C95 C96 H96A 119.8 . . ?
C91 C96 H96A 119.8 . . ?
C92A C91A C96A 119.45(19) . . ?
C92A C91A Si16 120.3(2) . . ?
C96A C91A Si16 120.2(2) . . ?
C93A C92A C91A 120.2(2) . . ?
C93A C92A H92B 119.9 . . ?
C91A C92A H92B 119.9 . . ?
C92A C93A C94A 120.1(2) . . ?
C92A C93A H93B 119.9 . . ?
C94A C93A H93B 119.9 . . ?
C93A C94A C95A 119.8(2) . . ?
C93A C94A H94B 120.1 . . ?
C95A C94A H94B 120.1 . . ?
C96A C95A C94A 120.1(2) . . ?
C96A C95A H95B 119.9 . . ?
C94A C95A H95B 119.9 . . ?
C95A C96A C91A 120.3(2) . . ?
C95A C96A H96B 119.9 . . ?
C91A C96A H96B 119.9 . . ?
C98 C97 C102 119.9(2) . . ?
C98 C97 Si17 118.3(4) . . ?
C102 C97 Si17 121.8(4) . . ?
C99 C98 C97 120.1(2) . . ?
C99 C98 H98 120.0 . . ?
C97 C98 H98 120.0 . . ?
C98 C99 C100 120.0(2) . . ?
C98 C99 H99A 120.0 . . ?
C100 C99 H99A 120.0 . . ?
C101 C100 C99 120.0(2) . . ?
C101 C100 H10A 120.0 . . ?
C99 C100 H10A 120.0 . . ?
C100 C101 C102 120.0(2) . . ?
C100 C101 H10B 120.0 . . ?
C102 C101 H10B 120.0 . . ?
C97 C102 C101 120.0(2) . . ?
C97 C102 H10C 120.0 . . ?
C101 C102 H10C 120.0 . . ?
C108 C103 C104 119.9(2) . . ?
C108 C103 Si18 122.3(4) . . ?
C104 C103 Si18 117.8(4) . . ?
C105 C104 C103 120.1(2) . . ?
C105 C104 H10D 120.0 . . ?
C103 C104 H10D 120.0 . . ?
C104 C105 C106 120.0(2) . . ?
C104 C105 H10E 120.0 . . ?
C106 C105 H10E 120.0 . . ?
C105 C106 C107 119.9(2) . . ?
C105 C106 H10F 120.0 . . ?
C107 C106 H10F 120.0 . . ?
C108 C107 C106 120.1(2) . . ?
C108 C107 H10G 120.0 . . ?
C106 C107 H10G 120.0 . . ?
C107 C108 C103 120.0(2) . . ?
C107 C108 H10H 120.0 . . ?
C103 C108 H10H 120.0 . . ?
C110 C109 C114 120.0(2) . . ?
C110 C109 Si19 121.1(6) . . ?
C114 C109 Si19 118.9(6) . . ?
C109 C110 C111 120.0(2) . . ?
C109 C110 H11A 120.0 . . ?
C111 C110 H11A 120.0 . . ?
C112 C111 C110 120.0(2) . . ?
C112 C111 H11B 120.0 . . ?
C110 C111 H11B 120.0 . . ?
C111 C112 C113 120.1(2) . . ?
C111 C112 H11C 120.0 . . ?
C113 C112 H11C 120.0 . . ?
C114 C113 C112 120.0(2) . . ?
C114 C113 H11D 120.0 . . ?
C112 C113 H11D 120.0 . . ?
C113 C114 C109 120.0(2) . . ?
C113 C114 H11E 120.0 . . ?
C109 C114 H11E 120.0 . . ?
C120 C115 C116 119.9(2) . . ?
C120 C115 Si20 121.2(5) . . ?
C116 C115 Si20 118.9(5) . . ?
C115 C116 C117 119.9(2) . . ?
C115 C116 H11F 120.0 . . ?
C117 C116 H11F 120.0 . . ?
C118 C117 C116 120.0(2) . . ?
C118 C117 H11G 120.0 . . ?
C116 C117 H11G 120.0 . . ?
C119 C118 C117 120.1(2) . . ?
C119 C118 H11H 120.0 . . ?
C117 C118 H11H 120.0 . . ?
C118 C119 C120 119.9(2) . . ?
C118 C119 H11I 120.0 . . ?
C120 C119 H11I 120.0 . . ?
C115 C120 C119 120.1(2) . . ?
C115 C120 H12A 119.9 . . ?
C119 C120 H12A 119.9 . . ?
C121 O43 Na1 139.1(4) . . ?
C121 O43 H43O 101.8 . . ?
Na1 O43 H43O 102.1 . . ?
O43 C121 C122 112.6(3) . . ?
O43 C121 H12B 109.1 . . ?
C122 C121 H12B 109.1 . . ?
O43 C121 H12C 109.1 . . ?
C122 C121 H12C 109.1 . . ?
H12B C121 H12C 107.8 . . ?
C121 C122 H12D 109.5 . . ?
C121 C122 H12E 109.5 . . ?
H12D C122 H12E 109.5 . . ?
C121 C122 H12F 109.5 . . ?
H12D C122 H12F 109.5 . . ?
H12E C122 H12F 109.5 . . ?
C123 O44 Na2 136.4(4) . . ?
C123 O44 H44A 103.7 . . ?
Na2 O44 H44A 102.2 . . ?
O44 C123 C124 111.7(3) . . ?
O44 C123 H12G 109.3 . . ?
C124 C123 H12G 109.3 . . ?
O44 C123 H12H 109.3 . . ?
C124 C123 H12H 109.3 . . ?
H12G C123 H12H 108.0 . . ?
C123 C124 H12I 109.5 . . ?
C123 C124 H12J 109.5 . . ?
H12I C124 H12J 109.5 . . ?
C123 C124 H12K 109.5 . . ?
H12I C124 H12K 109.5 . . ?
H12J C124 H12K 109.5 . . ?
C12E O44A Na2 133.0(13) . . ?
C12E O44A H44B 103.4 . . ?
Na2 O44A H44B 104.7 . . ?
O44A C12E C12F 111.4(3) . . ?
O44A C12E H12L 109.4 . . ?
C12F C12E H12L 109.4 . . ?
O44A C12E H12M 109.3 . . ?
C12F C12E H12M 109.3 . . ?
H12L C12E H12M 108.0 . . ?
C12E C12F H12N 109.5 . . ?
C12E C12F H12O 109.5 . . ?
H12N C12F H12O 109.5 . . ?
C12E C12F H12P 109.5 . . ?
H12N C12F H12P 109.5 . . ?
H12O C12F H12P 109.5 . . ?
C125 O45 Na3 137.9(4) . . ?
C125 O45 H45A 123.8 . . ?
Na3 O45 H45A 93.0 . . ?
O45 C125 C126 112.0(3) . . ?
O45 C125 H12Q 109.2 . . ?
C126 C125 H12Q 109.2 . . ?
O45 C125 H12R 109.2 . . ?
C126 C125 H12R 109.2 . . ?
H12Q C125 H12R 107.9 . . ?
C125 C126 H12S 109.5 . . ?
C125 C126 H12T 109.5 . . ?
H12S C126 H12T 109.5 . . ?
C125 C126 H12U 109.5 . . ?
H12S C126 H12U 109.5 . . ?
H12T C126 H12U 109.5 . . ?
C12A O45A Na3 137.5(4) . . ?
C12A O45A H45B 100.2 . . ?
Na3 O45A H45B 102.0 . . ?
O45A C12A C12B 112.1(3) . . ?
O45A C12A H12V 109.2 . . ?
C12B C12A H12V 109.2 . . ?
O45A C12A H12W 109.2 . . ?
C12B C12A H12W 109.2 . . ?
H12V C12A H12W 107.9 . . ?
C12A C12B H12X 109.5 . . ?
C12A C12B H12Y 109.5 . . ?
H12X C12B H12Y 109.5 . . ?
C12A C12B H12Z 109.5 . . ?
H12X C12B H12Z 109.5 . . ?
H12Y C12B H12Z 109.5 . . ?
C127 O46 Na4 137.1(4) . . ?
C127 O46 H46A 102.9 . . ?
Na4 O46 H46A 102.7 . . ?
O46 C127 C128 112.0(3) . . ?
O46 C127 H13A 109.2 . . ?
C128 C127 H13A 109.2 . . ?
O46 C127 H13B 109.2 . . ?
C128 C127 H13B 109.2 . . ?
H13A C127 H13B 107.9 . . ?
C127 C128 H13C 109.5 . . ?
C127 C128 H13D 109.5 . . ?
H13C C128 H13D 109.5 . . ?
C127 C128 H13E 109.5 . . ?
H13C C128 H13E 109.5 . . ?
H13D C128 H13E 109.5 . . ?
C12C O46A Na4 136.0(4) . . ?
C12C O46A H46B 114.4 . . ?
Na4 O46A H46B 109.5 . . ?
O46A C12C C12D 111.8(3) . . ?
O46A C12C H13F 109.3 . . ?
C12D C12C H13F 109.3 . . ?
O46A C12C H13G 109.3 . . ?
C12D C12C H13G 109.3 . . ?
H13F C12C H13G 107.9 . . ?
C12C C12D H13H 109.5 . . ?
C12C C12D H13I 109.5 . . ?
H13H C12D H13I 109.5 . . ?
C12C C12D H13J 109.5 . . ?
H13H C12D H13J 109.5 . . ?
H13I C12D H13J 109.5 . . ?
N1 P1 C141 111.6(3) . . ?
N1 P1 C135 108.7(4) . . ?
C141 P1 C135 107.1(3) . . ?
N1 P1 C129 112.1(4) . . ?
C141 P1 C129 109.4(3) . . ?
C135 P1 C129 107.7(2) . . ?
N1 P2 C14A 123.3(5) . . ?
N1 P2 C153 110.6(4) . . ?
N1 P2 C159 113.0(4) . . ?
C14A P2 C159 114.1(3) . . ?
C153 P2 C159 113.3(2) . . ?
N1 P2 C15A 102.2(4) . . ?
C14A P2 C15A 101.9(4) . . ?
C159 P2 C15A 96.7(3) . . ?
N1 P2 C147 109.7(4) . . ?
C153 P2 C147 104.2(3) . . ?
C159 P2 C147 105.4(3) . . ?
P2 N1 P1 137.9(6) . . ?
C130 C129 C134 120.0(2) . . ?
C130 C129 P1 117.6(5) . . ?
C134 C129 P1 122.4(5) . . ?
C131 C130 C129 120.0(2) . . ?
C131 C130 H13K 120.0 . . ?
C129 C130 H13K 120.0 . . ?
C130 C131 C132 120.0(2) . . ?
C130 C131 H13L 120.0 . . ?
C132 C131 H13L 120.0 . . ?
C133 C132 C131 120.0(2) . . ?
C133 C132 H13M 120.0 . . ?
C131 C132 H13M 120.0 . . ?
C132 C133 C134 120.0(2) . . ?
C132 C133 H13N 120.0 . . ?
C134 C133 H13N 120.0 . . ?
C129 C134 C133 120.0(2) . . ?
C129 C134 H13O 120.0 . . ?
C133 C134 H13O 120.0 . . ?
C136 C135 C140 120.0(2) . . ?
C136 C135 P1 119.5(5) . . ?
C140 C135 P1 120.5(5) . . ?
C137 C136 C135 120.0(2) . . ?
C137 C136 H13P 120.0 . . ?
C135 C136 H13P 120.0 . . ?
C136 C137 C138 120.0(2) . . ?
C136 C137 H13Q 120.0 . . ?
C138 C137 H13Q 120.0 . . ?
C139 C138 C137 120.0(2) . . ?
C139 C138 H13R 120.0 . . ?
C137 C138 H13R 120.0 . . ?
C140 C139 C138 120.0(2) . . ?
C140 C139 H13S 120.0 . . ?
C138 C139 H13S 120.0 . . ?
C139 C140 C135 120.1(2) . . ?
C139 C140 H14A 120.0 . . ?
C135 C140 H14A 120.0 . . ?
C146 C141 C142 120.2(2) . . ?
C146 C141 P1 119.2(4) . . ?
C142 C141 P1 120.6(4) . . ?
C141 C142 C143 119.8(2) . . ?
C141 C142 H14B 120.1 . . ?
C143 C142 H14B 120.1 . . ?
C144 C143 C142 120.0(2) . . ?
C144 C143 H14C 120.0 . . ?
C142 C143 H14C 120.0 . . ?
C143 C144 C145 120.2(2) . . ?
C143 C144 H14D 119.9 . . ?
C145 C144 H14D 119.9 . . ?
C144 C145 C146 119.9(2) . . ?
C144 C145 H14E 120.0 . . ?
C146 C145 H14E 120.0 . . ?
C141 C146 C145 120.0(2) . . ?
C141 C146 H14F 120.0 . . ?
C145 C146 H14F 120.0 . . ?
C152 C147 C148 120.05(19) . . ?
C152 C147 P2 119.9(2) . . ?
C148 C147 P2 120.0(2) . . ?
C147 C148 C149 120.0(2) . . ?
C147 C148 H14G 120.0 . . ?
C149 C148 H14G 120.0 . . ?
C150 C149 C148 120.0(2) . . ?
C150 C149 H14H 120.0 . . ?
C148 C149 H14H 120.0 . . ?
C149 C150 C151 120.0(2) . . ?
C149 C150 H15A 120.0 . . ?
C151 C150 H15A 120.0 . . ?
C150 C151 C152 120.0(2) . . ?
C150 C151 H15B 120.0 . . ?
C152 C151 H15B 120.0 . . ?
C147 C152 C151 120.0(2) . . ?
C147 C152 H15C 120.0 . . ?
C151 C152 H15C 120.0 . . ?
C15J C14A C14B 120.0(2) . . ?
C15J C14A P2 120.1(2) . . ?
C14B C14A P2 119.9(2) . . ?
C14C C14B C14A 120.0(2) . . ?
C14C C14B H14I 120.0 . . ?
C14A C14B H14I 120.0 . . ?
C15H C14C C14B 120.0(2) . . ?
C15H C14C H14J 120.0 . . ?
C14B C14C H14J 120.0 . . ?
C14C C15H C15I 120.0(2) . . ?
C14C C15H H15D 120.0 . . ?
C15I C15H H15D 120.0 . . ?
C15H C15I C15J 120.0(2) . . ?
C15H C15I H15E 120.0 . . ?
C15J C15I H15E 120.0 . . ?
C14A C15J C15I 120.0(2) . . ?
C14A C15J H15F 120.0 . . ?
C15I C15J H15F 120.0 . . ?
C154 C153 C158 120.22(19) . . ?
C154 C153 P2 119.9(2) . . ?
C158 C153 P2 119.8(2) . . ?
C153 C154 C155 119.9(2) . . ?
C153 C154 H15G 120.1 . . ?
C155 C154 H15G 120.1 . . ?
C156 C155 C154 119.9(2) . . ?
C156 C155 H15H 120.0 . . ?
C154 C155 H15H 120.0 . . ?
C157 C156 C155 120.2(2) . . ?
C157 C156 H15I 119.9 . . ?
C155 C156 H15I 119.9 . . ?
C156 C157 C158 119.9(2) . . ?
C156 C157 H15J 120.0 . . ?
C158 C157 H15J 120.0 . . ?
C153 C158 C157 119.9(2) . . ?
C153 C158 H15K 120.1 . . ?
C157 C158 H15K 120.1 . . ?
C15B C15A C15F 120.08(19) . . ?
C15B C15A P2 120.0(2) . . ?
C15F C15A P2 120.0(2) . . ?
C15A C15B C15C 120.0(2) . . ?
C15A C15B H15L 120.0 . . ?
C15C C15B H15L 120.0 . . ?
C15D C15C C15B 120.0(2) . . ?
C15D C15C H15M 120.0 . . ?
C15B C15C H15M 120.0 . . ?
C15C C15D C15E 120.0(2) . . ?
C15C C15D H15N 120.0 . . ?
C15E C15D H15N 120.0 . . ?
C15D C15E C15F 120.0(2) . . ?
C15D C15E H15O 120.0 . . ?
C15F C15E H15O 120.0 . . ?
C15A C15F C15E 120.0(2) . . ?
C15A C15F H15P 120.0 . . ?
C15E C15F H15P 120.0 . . ?
C164 C159 C160 120.17(19) . . ?
C164 C159 P2 120.0(2) . . ?
C160 C159 P2 119.9(2) . . ?
C159 C160 C161 119.9(2) . . ?
C159 C160 H16A 120.1 . . ?
C161 C160 H16A 120.1 . . ?
C162 C161 C160 119.9(2) . . ?
C162 C161 H16B 120.0 . . ?
C160 C161 H16B 120.0 . . ?
C163 C162 C161 120.3(2) . . ?
C163 C162 H16C 119.9 . . ?
C161 C162 H16C 119.9 . . ?
C162 C163 C164 119.8(2) . . ?
C162 C163 H16D 120.1 . . ?
C164 C163 H16D 120.1 . . ?
C159 C164 C163 119.9(2) . . ?
C159 C164 H16E 120.0 . . ?
C163 C164 H16E 120.0 . . ?
N2 P3 C171 112.4(4) . . ?
N2 P3 C177 111.1(5) . . ?
C171 P3 C177 114.9(3) . . ?
N2 P3 C165 109.1(6) . . ?
C171 P3 C165 107.1(3) . . ?
C177 P3 C165 101.4(4) . . ?
N2 P4 C195 117.1(6) . . ?
N2 P4 C183 107.0(5) . . ?
C195 P4 C183 105.8(3) . . ?
N2 P4 C18A 113.1(4) . . ?
C183 P4 C18A 127.1(4) . . ?
N2 P4 C189 111.7(4) . . ?
C195 P4 C189 111.1(4) . . ?
C183 P4 C189 102.9(4) . . ?
N2 P4 C19F 109.0(7) . . ?
C183 P4 C19F 106.0(4) . . ?
C18A P4 C19F 92.4(5) . . ?
P3 N2 P4 144.7(8) . . ?
C166 C165 C170 120.1(2) . . ?
C166 C165 P3 118.0(7) . . ?
C170 C165 P3 121.9(7) . . ?
C165 C166 C167 120.0(2) . . ?
C165 C166 H16F 120.0 . . ?
C167 C166 H16F 120.0 . . ?
C168 C167 C166 120.0(2) . . ?
C168 C167 H16G 120.0 . . ?
C166 C167 H16G 120.0 . . ?
C167 C168 C169 120.1(2) . . ?
C167 C168 H16H 120.0 . . ?
C169 C168 H16H 120.0 . . ?
C168 C169 C170 120.0(2) . . ?
C168 C169 H16I 120.0 . . ?
C170 C169 H16I 120.0 . . ?
C169 C170 C165 119.9(2) . . ?
C169 C170 H17A 120.0 . . ?
C165 C170 H17A 120.0 . . ?
C176 C171 C172 120.4(2) . . ?
C176 C171 P3 117.8(6) . . ?
C172 C171 P3 121.8(6) . . ?
C171 C172 C173 119.8(2) . . ?
C171 C172 H17B 120.1 . . ?
C173 C172 H17B 120.1 . . ?
C174 C173 C172 119.9(2) . . ?
C174 C173 H17C 120.1 . . ?
C172 C173 H17C 120.1 . . ?
C175 C174 C173 120.3(2) . . ?
C175 C174 H17D 119.9 . . ?
C173 C174 H17D 119.9 . . ?
C174 C175 C176 119.9(2) . . ?
C174 C175 H17E 120.1 . . ?
C176 C175 H17E 120.1 . . ?
C171 C176 C175 119.8(2) . . ?
C171 C176 H17F 120.1 . . ?
C175 C176 H17F 120.1 . . ?
C182 C177 C178 120.3(2) . . ?
C182 C177 P3 119.3(5) . . ?
C178 C177 P3 120.5(5) . . ?
C177 C178 C179 119.9(2) . . ?
C177 C178 H17G 120.1 . . ?
C179 C178 H17G 120.1 . . ?
C178 C179 C180 119.9(2) . . ?
C178 C179 H17H 120.0 . . ?
C180 C179 H17H 120.0 . . ?
C181 C180 C179 120.1(2) . . ?
C181 C180 H18A 119.9 . . ?
C179 C180 H18A 119.9 . . ?
C180 C181 C182 119.9(2) . . ?
C180 C181 H18B 120.0 . . ?
C182 C181 H18B 120.0 . . ?
C177 C182 C181 119.9(2) . . ?
C177 C182 H18C 120.1 . . ?
C181 C182 H18C 120.1 . . ?
C188 C183 C184 120.2(2) . . ?
C188 C183 P4 119.1(4) . . ?
C184 C183 P4 120.8(5) . . ?
C183 C184 C185 119.9(2) . . ?
C183 C184 H18D 120.1 . . ?
C185 C184 H18D 120.1 . . ?
C186 C185 C184 120.0(2) . . ?
C186 C185 H18E 120.0 . . ?
C184 C185 H18E 120.0 . . ?
C187 C186 C185 120.1(2) . . ?
C187 C186 H18F 119.9 . . ?
C185 C186 H18F 119.9 . . ?
C186 C187 C188 120.0(2) . . ?
C186 C187 H18G 120.0 . . ?
C188 C187 H18G 120.0 . . ?
C183 C188 C187 119.9(2) . . ?
C183 C188 H18H 120.1 . . ?
C187 C188 H18H 120.1 . . ?
C194 C189 C190 119.6(2) . . ?
C194 C189 P4 118.8(6) . . ?
C190 C189 P4 121.6(6) . . ?
C191 C190 C189 120.2(2) . . ?
C191 C190 H19A 119.9 . . ?
C189 C190 H19A 119.9 . . ?
C190 C191 C192 120.1(2) . . ?
C190 C191 H19B 120.0 . . ?
C192 C191 H19B 120.0 . . ?
C191 C192 C193 119.8(2) . . ?
C191 C192 H19C 120.1 . . ?
C193 C192 H19C 120.1 . . ?
C194 C193 C192 120.1(2) . . ?
C194 C193 H19D 120.0 . . ?
C192 C193 H19D 120.0 . . ?
C193 C194 C189 120.2(2) . . ?
C193 C194 H19E 119.9 . . ?
C189 C194 H19E 119.9 . . ?
C19E C18A C19A 120.1(2) . . ?
C19E C18A P4 133.7(9) . . ?
C19A C18A P4 106.3(9) . . ?
C18A C19A C19B 120.0(2) . . ?
C18A C19A H19F 120.0 . . ?
C19B C19A H19F 120.0 . . ?
C19C C19B C19A 120.0(2) . . ?
C19C C19B H19G 120.0 . . ?
C19A C19B H19G 120.0 . . ?
C19D C19C C19B 120.0(2) . . ?
C19D C19C H19H 120.0 . . ?
C19B C19C H19H 120.0 . . ?
C19C C19D C19E 120.0(2) . . ?
C19C C19D H19I 120.0 . . ?
C19E C19D H19I 120.0 . . ?
C18A C19E C19D 120.0(2) . . ?
C18A C19E H19J 120.0 . . ?
C19D C19E H19J 120.0 . . ?
C196 C195 C200 120.3(2) . . ?
C196 C195 P4 117.9(7) . . ?
C200 C195 P4 121.8(7) . . ?
C195 C196 C197 119.9(2) . . ?
C195 C196 H19K 120.1 . . ?
C197 C196 H19K 120.1 . . ?
C198 C197 C196 119.9(2) . . ?
C198 C197 H19L 120.0 . . ?
C196 C197 H19L 120.0 . . ?
C199 C198 C197 120.1(2) . . ?
C199 C198 H19M 119.9 . . ?
C197 C198 H19M 119.9 . . ?
C198 C199 C200 119.9(2) . . ?
C198 C199 H19N 120.0 . . ?
C200 C199 H19N 120.0 . . ?
C195 C200 C199 119.8(2) . . ?
C195 C200 H20A 120.1 . . ?
C199 C200 H20A 120.1 . . ?
C19G C19F C20E 119.9(2) . . ?
C19G C19F P4 119.7(9) . . ?
C20E C19F P4 120.4(9) . . ?
C19H C19G C19F 120.1(2) . . ?
C19H C19G H19O 120.0 . . ?
C19F C19G H19O 120.0 . . ?
C19I C19H C19G 120.0(2) . . ?
C19I C19H H19P 120.0 . . ?
C19G C19H H19P 120.0 . . ?
C19H C19I C19J 120.0(2) . . ?
C19H C19I H19Q 120.0 . . ?
C19J C19I H19Q 120.0 . . ?
C20E C19J C19I 120.0(2) . . ?
C20E C19J H19R 120.0 . . ?
C19I C19J H19R 120.0 . . ?
C19J C20E C19F 120.0(2) . . ?
C19J C20E H20B 120.0 . . ?
C19F C20E H20B 120.0 . . ?
C201 O47 H47O 99.9 . . ?
O47 C201 C202 111.9(3) . . ?
O47 C201 H20C 109.2 . . ?
C202 C201 H20C 109.2 . . ?
O47 C201 H20D 109.2 . . ?
C202 C201 H20D 109.2 . . ?
H20C C201 H20D 107.9 . . ?
C201 C202 H20E 109.5 . . ?
C201 C202 H20F 109.5 . . ?
H20E C202 H20F 109.5 . . ?
C201 C202 H20G 109.5 . . ?
H20E C202 H20G 109.5 . . ?
H20F C202 H20G 109.5 . . ?
C203 O48 H48O 112.6 . . ?
O48 C203 C204 112.0(3) . . ?
O48 C203 H20H 109.2 . . ?
C204 C203 H20H 109.2 . . ?
O48 C203 H20I 109.2 . . ?
C204 C203 H20I 109.2 . . ?
H20H C203 H20I 107.9 . . ?
C203 C204 H20J 109.5 . . ?
C203 C204 H20K 109.5 . . ?
H20J C204 H20K 109.5 . . ?
C203 C204 H20L 109.5 . . ?
H20J C204 H20L 109.5 . . ?
H20K C204 H20L 109.5 . . ?
C205 O49 H49A 109.6 . . ?
O49 C205 C206 111.9(3) . . ?
O49 C205 H20M 109.2 . . ?
C206 C205 H20M 109.2 . . ?
O49 C205 H20N 109.2 . . ?
C206 C205 H20N 109.2 . . ?
H20M C205 H20N 107.9 . . ?
C205 C206 H20O 109.5 . . ?
C205 C206 H20P 109.5 . . ?
H20O C206 H20P 109.5 . . ?
C205 C206 H20Q 109.5 . . ?
H20O C206 H20Q 109.5 . . ?
H20P C206 H20Q 109.5 . . ?
C20A O49A H49B 110.2 . . ?
O49A C20A C20B 111.9(3) . . ?
O49A C20A H20R 109.2 . . ?
C20B C20A H20R 109.2 . . ?
O49A C20A H20S 109.2 . . ?
C20B C20A H20S 109.2 . . ?
H20R C20A H20S 107.9 . . ?
C20A C20B H20T 109.5 . . ?
C20A C20B H20U 109.5 . . ?
H20T C20B H20U 109.5 . . ?
C20A C20B H20V 109.5 . . ?
H20T C20B H20V 109.5 . . ?
H20U C20B H20V 109.5 . . ?
C207 O50 H50A 98.3 . . ?
O50 C207 C208 112.0(3) . . ?
O50 C207 H20W 109.2 . . ?
C208 C207 H20W 109.3 . . ?
O50 C207 H20X 109.2 . . ?
C208 C207 H20X 109.2 . . ?
H20W C207 H20X 107.9 . . ?
C207 C208 H20Y 109.5 . . ?
C207 C208 H20Z 109.5 . . ?
H20Y C208 H20Z 109.5 . . ?
C207 C208 H21A 109.4 . . ?
H20Y C208 H21A 109.5 . . ?
H20Z C208 H21A 109.5 . . ?
C20C O50A H50B 113.9 . . ?
O50A C20C C20D 112.0(3) . . ?
O50A C20C H21B 109.2 . . ?
C20D C20C H21B 109.3 . . ?
O50A C20C H21C 109.2 . . ?
C20D C20C H21C 109.2 . . ?
H21B C20C H21C 107.9 . . ?
C20C C20D H21D 109.5 . . ?
C20C C20D H21E 109.5 . . ?
H21D C20D H21E 109.5 . . ?
C20C C20D H21F 109.4 . . ?
H21D C20D H21F 109.5 . . ?
H21E C20D H21F 109.5 . . ?
C209 O51 H51A 113.4 . . ?
O51 C209 C210 111.9(3) . . ?
O51 C209 H21G 109.2 . . ?
C210 C209 H21G 109.2 . . ?
O51 C209 H21H 109.2 . . ?
C210 C209 H21H 109.2 . . ?
H21G C209 H21H 107.9 . . ?
C209 C210 H21I 109.5 . . ?
C209 C210 H21J 109.5 . . ?
H21I C210 H21J 109.5 . . ?
C209 C210 H21K 109.5 . . ?
H21I C210 H21K 109.5 . . ?
H21J C210 H21K 109.5 . . ?
C20F O51A H51B 100.7 . . ?
O51A C20F C21A 111.9(3) . . ?
O51A C20F H21L 109.2 . . ?
C21A C20F H21L 109.2 . . ?
O51A C20F H21M 109.2 . . ?
C21A C20F H21M 109.2 . . ?
H21L C20F H21M 107.9 . . ?
C20F C21A H21N 109.5 . . ?
C20F C21A H21O 109.5 . . ?
H21N C21A H21O 109.5 . . ?
C20F C21A H21P 109.5 . . ?
H21N C21A H21P 109.5 . . ?
H21O C21A H21P 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O7 1.881(6) . ?
Cu1 O12 1.900(6) . ?
Cu1 O13 1.926(6) . ?
Cu1 O30 1.963(6) . ?
Cu1 Cu4 2.9753(16) . ?
Cu2 O8 1.886(6) . ?
Cu2 O9 1.910(6) . ?
Cu2 O17 1.924(6) . ?
Cu2 O27 1.964(6) . ?
Cu2 Cu3 2.9816(17) . ?
Cu3 O10 1.898(7) . ?
Cu3 O28 1.903(6) . ?
Cu3 O9 1.957(6) . ?
Cu3 O27 1.973(6) . ?
Cu4 O11 1.890(6) . ?
Cu4 O29 1.912(6) . ?
Cu4 O12 1.945(6) . ?
Cu4 O30 1.950(6) . ?
Cu5 O26 1.930(6) . ?
Cu5 O22 1.932(6) . ?
Cu5 O17 1.934(6) . ?
Cu5 O13 1.948(6) . ?
Cu6 O37 1.883(6) . ?
Cu6 O42 1.907(7) . ?
Cu6 O22 1.944(6) . ?
Cu6 O21 1.967(6) . ?
Cu6 Cu9 2.9843(18) . ?
Cu7 O38 1.881(6) . ?
Cu7 O26 1.919(6) . ?
Cu7 O39 1.921(6) . ?
Cu7 O18 1.962(6) . ?
Cu7 Cu8 2.9891(17) . ?
Cu8 O19 1.892(6) . ?
Cu8 O40 1.904(6) . ?
Cu8 O39 1.940(6) . ?
Cu8 O18 1.962(6) . ?
Cu9 O41 1.882(7) . ?
Cu9 O20 1.911(6) . ?
Cu9 O21 1.949(6) . ?
Cu9 O42 1.953(6) . ?
Si1 O7 1.598(6) . ?
Si1 O1 1.622(7) . ?
Si1 O6 1.638(7) . ?
Si1 C1 1.857(8) . ?
Si1 C1A 1.886(10) . ?
Si2 O8 1.602(6) . ?
Si2 O1 1.635(7) . ?
Si2 O2 1.639(7) . ?
Si2 C7 1.882(6) . ?
Si3 O3 1.592(8) . ?
Si3 O2 1.614(7) . ?
Si3 O9 1.624(6) . ?
Si3 C13 1.868(7) . ?
Si4 O10 1.593(7) . ?
Si4 O4 1.618(7) . ?
Si4 O3 1.644(8) . ?
Si4 C19 1.887(7) . ?
Si5 O11 1.590(7) . ?
Si5 O4 1.633(8) . ?
Si5 O5 1.659(7) . ?
Si5 C25 1.837(7) . ?
Si6 O6 1.610(7) . ?
Si6 O5 1.612(7) . ?
Si6 O12 1.613(6) . ?
Si6 C31 1.883(6) . ?
Si7 O18 1.621(6) . ?
Si7 O13 1.622(6) . ?
Si7 O14 1.624(6) . ?
Si7 C37 1.868(5) . ?
Si8 O19 1.590(6) . ?
Si8 O15 1.632(6) . ?
Si8 O14 1.645(7) . ?
Si8 C43 1.872(5) . ?
Si9 O20 1.599(7) . ?
Si9 O16 1.643(7) . ?
Si9 O15 1.652(7) . ?
Si9 C49 1.865(5) . ?
Si10 O17 1.606(7) . ?
Si10 O21 1.615(6) . ?
Si10 O16 1.639(6) . ?
Si10 C55 1.860(5) . ?
Si11 O27 1.612(6) . ?
Si11 O22 1.613(7) . ?
Si11 O23 1.642(6) . ?
Si11 C61 1.871(6) . ?
Si12 O28 1.594(7) . ?
Si12 O23 1.624(7) . ?
Si12 O24 1.646(7) . ?
Si12 C67 1.880(6) . ?
Si13 O29 1.595(6) . ?
Si13 O24 1.629(7) . ?
Si13 O25 1.633(7) . ?
Si13 C73 1.875(6) . ?
Si14 O26 1.627(6) . ?
Si14 O30 1.627(6) . ?
Si14 O25 1.641(6) . ?
Si14 C79 1.858(5) . ?
Si15 O37 1.577(6) . ?
Si15 O31 1.630(7) . ?
Si15 O36 1.634(8) . ?
Si15 C85 1.887(7) . ?
Si16 O38 1.596(6) . ?
Si16 O31 1.626(7) . ?
Si16 O32 1.642(7) . ?
Si16 C91 1.869(2) . ?
Si16 C91A 1.869(2) . ?
Si17 O39 1.613(6) . ?
Si17 O33 1.616(7) . ?
Si17 O32 1.630(7) . ?
Si17 C97 1.845(6) . ?
Si18 O40 1.589(7) . ?
Si18 O33 1.629(7) . ?
Si18 O34 1.636(8) . ?
Si18 C103 1.886(6) . ?
Si19 O34 1.599(8) . ?
Si19 O41 1.606(7) . ?
Si19 O35 1.639(8) . ?
Si19 C109 1.851(7) . ?
Si20 O35 1.610(8) . ?
Si20 O36 1.610(7) . ?
Si20 O42 1.625(7) . ?
Si20 C115 1.894(7) . ?
Na1 O43 2.312(3) . ?
Na1 O7 2.398(7) . ?
Na1 O8 2.418(7) . ?
Na1 O13 2.541(7) . ?
Na1 O16 2.550(7) . ?
Na1 O17 2.582(7) . ?
Na1 O14 2.656(7) . ?
Na2 O28 2.308(8) . ?
Na2 O44 2.319(3) . ?
Na2 O11 2.352(7) . ?
Na2 O44A 2.354(17) . ?
Na2 O10 2.431(8) . ?
Na2 O29 2.556(7) . ?
Na3 O45 2.314(3) . ?
Na3 O45A 2.316(3) . ?
Na3 O37 2.392(7) . ?
Na3 O38 2.453(7) . ?
Na3 O22 2.563(7) . ?
Na3 O25 2.584(7) . ?
Na3 O26 2.593(7) . ?
Na3 O23 2.673(7) . ?
Na4 O46 2.318(3) . ?
Na4 O46A 2.324(3) . ?
Na4 O40 2.367(8) . ?
Na4 O19 2.434(7) . ?
Na4 O41 2.434(9) . ?
Na4 O20 2.481(8) . ?
C1 C2 1.395(3) . ?
C1 C6 1.395(3) . ?
C2 C3 1.395(3) . ?
C2 H2A 0.9500 . ?
C3 C4 1.396(3) . ?
C3 H3A 0.9500 . ?
C4 C5 1.395(3) . ?
C4 H4A 0.9500 . ?
C5 C6 1.395(3) . ?
C5 H5A 0.9500 . ?
C6 H6A 0.9500 . ?
C1A C2A 1.395(3) . ?
C1A C6A 1.395(3) . ?
C2A C3A 1.395(3) . ?
C2A H2B 0.9500 . ?
C3A C4A 1.395(3) . ?
C3A H3B 0.9500 . ?
C4A C5A 1.395(3) . ?
C4A H4B 0.9500 . ?
C5A C6A 1.396(3) . ?
C5A H5B 0.9500 . ?
C6A H6B 0.9500 . ?
C7 C8 1.395(3) . ?
C7 C12 1.396(3) . ?
C8 C9 1.396(3) . ?
C8 H8 0.9500 . ?
C9 C10 1.394(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.396(3) . ?
C10 H10 0.9500 . ?
C11 C12 1.394(3) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.395(3) . ?
C13 C18 1.395(3) . ?
C14 C15 1.396(3) . ?
C14 H14 0.9500 . ?
C15 C16 1.394(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.395(3) . ?
C16 H16 0.9500 . ?
C17 C18 1.396(3) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.394(3) . ?
C19 C20 1.397(3) . ?
C20 C21 1.395(3) . ?
C20 H20 0.9500 . ?
C21 C22 1.395(3) . ?
C21 H21 0.9500 . ?
C22 C23 1.394(3) . ?
C22 H22 0.9500 . ?
C23 C24 1.397(3) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.395(3) . ?
C25 C26 1.396(3) . ?
C26 C27 1.395(3) . ?
C26 H26 0.9500 . ?
C27 C28 1.395(3) . ?
C27 H27 0.9500 . ?
C28 C29 1.395(3) . ?
C28 H28 0.9500 . ?
C29 C30 1.396(3) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.395(3) . ?
C31 C32 1.396(3) . ?
C32 C33 1.394(3) . ?
C32 H32 0.9500 . ?
C33 C34 1.395(3) . ?
C33 H33 0.9500 . ?
C34 C35 1.396(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.394(3) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C42 1.396(3) . ?
C37 C38 1.396(3) . ?
C38 C39 1.394(3) . ?
C38 H38 0.9500 . ?
C39 C40 1.395(3) . ?
C39 H39 0.9500 . ?
C40 C41 1.396(3) . ?
C40 H40 0.9500 . ?
C41 C42 1.394(3) . ?
C41 H41 0.9500 . ?
C42 H42 0.9500 . ?
C43 C48 1.396(3) . ?
C43 C44 1.396(3) . ?
C44 C45 1.395(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.395(3) . ?
C45 H45 0.9500 . ?
C46 C47 1.394(3) . ?
C46 H46 0.9500 . ?
C47 C48 1.395(3) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
C49 C50 1.395(3) . ?
C49 C54 1.395(3) . ?
C50 C51 1.395(3) . ?
C50 H50 0.9500 . ?
C51 C52 1.396(3) . ?
C51 H51 0.9500 . ?
C52 C53 1.395(3) . ?
C52 H52 0.9500 . ?
C53 C54 1.395(3) . ?
C53 H53 0.9500 . ?
C54 H54 0.9500 . ?
C55 C60 1.395(3) . ?
C55 C56 1.396(3) . ?
C56 C57 1.395(3) . ?
C56 H56 0.9500 . ?
C57 C58 1.395(3) . ?
C57 H57 0.9500 . ?
C58 C59 1.395(3) . ?
C58 H58 0.9500 . ?
C59 C60 1.396(3) . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C62 1.396(3) . ?
C61 C66 1.396(3) . ?
C62 C63 1.395(3) . ?
C62 H62 0.9500 . ?
C63 C64 1.395(3) . ?
C63 H63 0.9500 . ?
C64 C65 1.395(3) . ?
C64 H64 0.9500 . ?
C65 C66 1.395(3) . ?
C65 H65 0.9500 . ?
C66 H66 0.9500 . ?
C67 C68 1.395(3) . ?
C67 C72 1.396(3) . ?
C68 C69 1.395(3) . ?
C68 H68 0.9500 . ?
C69 C70 1.394(3) . ?
C69 H69 0.9500 . ?
C70 C71 1.395(3) . ?
C70 H70 0.9500 . ?
C71 C72 1.395(3) . ?
C71 H71 0.9500 . ?
C72 H72 0.9500 . ?
C73 C74 1.396(3) . ?
C73 C78 1.396(3) . ?
C74 C75 1.395(3) . ?
C74 H74 0.9500 . ?
C75 C76 1.395(3) . ?
C75 H75 0.9500 . ?
C76 C77 1.395(3) . ?
C76 H76 0.9500 . ?
C77 C78 1.394(3) . ?
C77 H77 0.9500 . ?
C78 H78 0.9500 . ?
C79 C84 1.395(3) . ?
C79 C80 1.395(3) . ?
C80 C81 1.395(3) . ?
C80 H80 0.9500 . ?
C81 C82 1.395(3) . ?
C81 H81 0.9500 . ?
C82 C83 1.395(3) . ?
C82 H82 0.9500 . ?
C83 C84 1.395(3) . ?
C83 H83 0.9500 . ?
C84 H84 0.9500 . ?
C85 C86 1.396(3) . ?
C85 C90 1.396(3) . ?
C86 C87 1.396(3) . ?
C86 H86 0.9500 . ?
C87 C88 1.394(3) . ?
C87 H87 0.9500 . ?
C88 C89 1.395(3) . ?
C88 H88 0.9500 . ?
C89 C90 1.395(3) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C96 1.399(2) . ?
C91 C92 1.399(2) . ?
C92 C93 1.392(2) . ?
C92 H92A 0.9500 . ?
C93 C94 1.396(3) . ?
C93 H93A 0.9500 . ?
C94 C95 1.395(3) . ?
C94 H94A 0.9500 . ?
C95 C96 1.392(2) . ?
C95 H95A 0.9500 . ?
C96 H96A 0.9500 . ?
C91A C92A 1.399(2) . ?
C91A C96A 1.399(2) . ?
C92A C93A 1.393(3) . ?
C92A H92B 0.9500 . ?
C93A C94A 1.395(3) . ?
C93A H93B 0.9500 . ?
C94A C95A 1.396(3) . ?
C94A H94B 0.9500 . ?
C95A C96A 1.392(3) . ?
C95A H95B 0.9500 . ?
C96A H96B 0.9500 . ?
C97 C98 1.395(3) . ?
C97 C102 1.396(3) . ?
C98 C99 1.395(3) . ?
C98 H98 0.9500 . ?
C99 C100 1.395(3) . ?
C99 H99A 0.9500 . ?
C100 C101 1.395(3) . ?
C100 H10A 0.9500 . ?
C101 C102 1.396(3) . ?
C101 H10B 0.9500 . ?
C102 H10C 0.9500 . ?
C103 C108 1.396(3) . ?
C103 C104 1.396(3) . ?
C104 C105 1.395(3) . ?
C104 H10D 0.9500 . ?
C105 C106 1.395(3) . ?
C105 H10E 0.9500 . ?
C106 C107 1.395(3) . ?
C106 H10F 0.9500 . ?
C107 C108 1.395(3) . ?
C107 H10G 0.9500 . ?
C108 H10H 0.9500 . ?
C109 C110 1.395(3) . ?
C109 C114 1.396(3) . ?
C110 C111 1.397(3) . ?
C110 H11A 0.9500 . ?
C111 C112 1.394(3) . ?
C111 H11B 0.9500 . ?
C112 C113 1.396(3) . ?
C112 H11C 0.9500 . ?
C113 C114 1.395(3) . ?
C113 H11D 0.9500 . ?
C114 H11E 0.9500 . ?
C115 C120 1.395(3) . ?
C115 C116 1.396(3) . ?
C116 C117 1.396(3) . ?
C116 H11F 0.9500 . ?
C117 C118 1.394(3) . ?
C117 H11G 0.9500 . ?
C118 C119 1.394(3) . ?
C118 H11H 0.9500 . ?
C119 C120 1.396(3) . ?
C119 H11I 0.9500 . ?
C120 H12A 0.9500 . ?
O43 C121 1.420(3) . ?
O43 H43O 0.8999 . ?
C121 C122 1.524(3) . ?
C121 H12B 0.9900 . ?
C121 H12C 0.9900 . ?
C122 H12D 0.9800 . ?
C122 H12E 0.9800 . ?
C122 H12F 0.9800 . ?
O44 C123 1.432(3) . ?
O44 H44A 0.8999 . ?
C123 C124 1.526(3) . ?
C123 H12G 0.9900 . ?
C123 H12H 0.9900 . ?
C124 H12I 0.9800 . ?
C124 H12J 0.9800 . ?
C124 H12K 0.9800 . ?
O44A C12E 1.435(3) . ?
O44A H44B 0.9002 . ?
C12E C12F 1.527(3) . ?
C12E H12L 0.9900 . ?
C12E H12M 0.9900 . ?
C12F H12N 0.9800 . ?
C12F H12O 0.9800 . ?
C12F H12P 0.9800 . ?
O45 C125 1.426(3) . ?
O45 H45A 0.9001 . ?
C125 C126 1.526(3) . ?
C125 H12Q 0.9900 . ?
C125 H12R 0.9900 . ?
C126 H12S 0.9800 . ?
C126 H12T 0.9800 . ?
C126 H12U 0.9800 . ?
O45A C12A 1.427(3) . ?
O45A H45B 0.9000 . ?
C12A C12B 1.525(3) . ?
C12A H12V 0.9900 . ?
C12A H12W 0.9900 . ?
C12B H12X 0.9800 . ?
C12B H12Y 0.9800 . ?
C12B H12Z 0.9800 . ?
O46 C127 1.428(3) . ?
O46 H46A 0.8999 . ?
C127 C128 1.526(3) . ?
C127 H13A 0.9900 . ?
C127 H13B 0.9900 . ?
C128 H13C 0.9800 . ?
C128 H13D 0.9800 . ?
C128 H13E 0.9800 . ?
O46A C12C 1.431(3) . ?
O46A H46B 0.9001 . ?
C12C C12D 1.526(3) . ?
C12C H13F 0.9900 . ?
C12C H13G 0.9900 . ?
C12D H13H 0.9800 . ?
C12D H13I 0.9800 . ?
C12D H13J 0.9800 . ?
P1 N1 1.597(10) . ?
P1 C141 1.796(3) . ?
P1 C135 1.800(3) . ?
P1 C129 1.801(3) . ?
P2 N1 1.542(10) . ?
P2 C14A 1.793(4) . ?
P2 C153 1.795(2) . ?
P2 C159 1.797(2) . ?
P2 C15A 1.799(2) . ?
P2 C147 1.801(2) . ?
C129 C130 1.395(3) . ?
C129 C134 1.396(3) . ?
C130 C131 1.395(3) . ?
C130 H13K 0.9500 . ?
C131 C132 1.395(3) . ?
C131 H13L 0.9500 . ?
C132 C133 1.394(3) . ?
C132 H13M 0.9500 . ?
C133 C134 1.395(3) . ?
C133 H13N 0.9500 . ?
C134 H13O 0.9500 . ?
C135 C136 1.395(3) . ?
C135 C140 1.395(3) . ?
C136 C137 1.395(3) . ?
C136 H13P 0.9500 . ?
C137 C138 1.396(3) . ?
C137 H13Q 0.9500 . ?
C138 C139 1.395(3) . ?
C138 H13R 0.9500 . ?
C139 C140 1.395(3) . ?
C139 H13S 0.9500 . ?
C140 H14A 0.9500 . ?
C141 C146 1.394(3) . ?
C141 C142 1.395(3) . ?
C142 C143 1.396(3) . ?
C142 H14B 0.9500 . ?
C143 C144 1.394(3) . ?
C143 H14C 0.9500 . ?
C144 C145 1.394(3) . ?
C144 H14D 0.9500 . ?
C145 C146 1.396(3) . ?
C145 H14E 0.9500 . ?
C146 H14F 0.9500 . ?
C147 C152 1.393(2) . ?
C147 C148 1.395(2) . ?
C148 C149 1.397(3) . ?
C148 H14G 0.9500 . ?
C149 C150 1.396(3) . ?
C149 H14H 0.9500 . ?
C150 C151 1.395(3) . ?
C150 H15A 0.9500 . ?
C151 C152 1.397(2) . ?
C151 H15B 0.9500 . ?
C152 H15C 0.9500 . ?
C14A C15J 1.395(3) . ?
C14A C14B 1.396(3) . ?
C14B C14C 1.395(3) . ?
C14B H14I 0.9500 . ?
C14C C15H 1.395(3) . ?
C14C H14J 0.9500 . ?
C15H C15I 1.395(3) . ?
C15H H15D 0.9500 . ?
C15I C15J 1.396(3) . ?
C15I H15E 0.9500 . ?
C15J H15F 0.9500 . ?
C153 C154 1.395(2) . ?
C153 C158 1.395(2) . ?
C154 C155 1.396(3) . ?
C154 H15G 0.9500 . ?
C155 C156 1.395(3) . ?
C155 H15H 0.9500 . ?
C156 C157 1.395(3) . ?
C156 H15I 0.9500 . ?
C157 C158 1.396(3) . ?
C157 H15J 0.9500 . ?
C158 H15K 0.9500 . ?
C15A C15B 1.394(2) . ?
C15A C15F 1.395(2) . ?
C15B C15C 1.396(3) . ?
C15B H15L 0.9500 . ?
C15C C15D 1.395(3) . ?
C15C H15M 0.9500 . ?
C15D C15E 1.396(3) . ?
C15D H15N 0.9500 . ?
C15E C15F 1.396(3) . ?
C15E H15O 0.9500 . ?
C15F H15P 0.9500 . ?
C159 C164 1.394(2) . ?
C159 C160 1.394(2) . ?
C160 C161 1.396(2) . ?
C160 H16A 0.9500 . ?
C161 C162 1.394(3) . ?
C161 H16B 0.9500 . ?
C162 C163 1.393(3) . ?
C162 H16C 0.9500 . ?
C163 C164 1.397(3) . ?
C163 H16D 0.9500 . ?
C164 H16E 0.9500 . ?
P3 N2 1.570(9) . ?
P3 C171 1.791(3) . ?
P3 C177 1.794(3) . ?
P3 C165 1.797(3) . ?
P4 N2 1.569(10) . ?
P4 C195 1.792(3) . ?
P4 C183 1.796(3) . ?
P4 C18A 1.798(3) . ?
P4 C189 1.807(3) . ?
P4 C19F 1.996(13) . ?
C165 C166 1.394(3) . ?
C165 C170 1.396(3) . ?
C166 C167 1.396(3) . ?
C166 H16F 0.9500 . ?
C167 C168 1.394(3) . ?
C167 H16G 0.9500 . ?
C168 C169 1.395(3) . ?
C168 H16H 0.9500 . ?
C169 C170 1.396(3) . ?
C169 H16I 0.9500 . ?
C170 H17A 0.9500 . ?
C171 C176 1.393(3) . ?
C171 C172 1.394(3) . ?
C172 C173 1.396(3) . ?
C172 H17B 0.9500 . ?
C173 C174 1.395(3) . ?
C173 H17C 0.9500 . ?
C174 C175 1.394(3) . ?
C174 H17D 0.9500 . ?
C175 C176 1.398(3) . ?
C175 H17E 0.9500 . ?
C176 H17F 0.9500 . ?
C177 C182 1.394(3) . ?
C177 C178 1.394(3) . ?
C178 C179 1.396(3) . ?
C178 H17G 0.9500 . ?
C179 C180 1.396(3) . ?
C179 H17H 0.9500 . ?
C180 C181 1.395(3) . ?
C180 H18A 0.9500 . ?
C181 C182 1.396(3) . ?
C181 H18B 0.9500 . ?
C182 H18C 0.9500 . ?
C183 C188 1.394(3) . ?
C183 C184 1.395(3) . ?
C184 C185 1.396(3) . ?
C184 H18D 0.9500 . ?
C185 C186 1.395(3) . ?
C185 H18E 0.9500 . ?
C186 C187 1.393(3) . ?
C186 H18F 0.9500 . ?
C187 C188 1.396(3) . ?
C187 H18G 0.9500 . ?
C188 H18H 0.9500 . ?
C189 C194 1.396(3) . ?
C189 C190 1.397(3) . ?
C190 C191 1.394(3) . ?
C190 H19A 0.9500 . ?
C191 C192 1.395(3) . ?
C191 H19B 0.9500 . ?
C192 C193 1.396(3) . ?
C192 H19C 0.9500 . ?
C193 C194 1.395(3) . ?
C193 H19D 0.9500 . ?
C194 H19E 0.9500 . ?
C18A C19E 1.395(3) . ?
C18A C19A 1.395(3) . ?
C19A C19B 1.396(3) . ?
C19A H19F 0.9500 . ?
C19B C19C 1.395(3) . ?
C19B H19G 0.9500 . ?
C19C C19D 1.395(3) . ?
C19C H19H 0.9500 . ?
C19D C19E 1.395(3) . ?
C19D H19I 0.9500 . ?
C19E H19J 0.9500 . ?
C195 C196 1.394(3) . ?
C195 C200 1.394(3) . ?
C196 C197 1.396(3) . ?
C196 H19K 0.9500 . ?
C197 C198 1.395(3) . ?
C197 H19L 0.9500 . ?
C198 C199 1.395(3) . ?
C198 H19M 0.9500 . ?
C199 C200 1.396(3) . ?
C199 H19N 0.9500 . ?
C200 H20A 0.9500 . ?
C19F C19G 1.395(3) . ?
C19F C20E 1.396(3) . ?
C19G C19H 1.395(3) . ?
C19G H19O 0.9500 . ?
C19H C19I 1.395(3) . ?
C19H H19P 0.9500 . ?
C19I C19J 1.395(3) . ?
C19I H19Q 0.9500 . ?
C19J C20E 1.395(3) . ?
C19J H19R 0.9500 . ?
C20E H20B 0.9500 . ?
O47 C201 1.430(3) . ?
O47 H47O 0.9001 . ?
C201 C202 1.525(3) . ?
C201 H20C 0.9900 . ?
C201 H20D 0.9900 . ?
C202 H20E 0.9800 . ?
C202 H20F 0.9800 . ?
C202 H20G 0.9800 . ?
O48 C203 1.430(3) . ?
O48 H48O 0.9001 . ?
C203 C204 1.525(3) . ?
C203 H20H 0.9900 . ?
C203 H20I 0.9900 . ?
C204 H20J 0.9800 . ?
C204 H20K 0.9800 . ?
C204 H20L 0.9800 . ?
O49 C205 1.429(3) . ?
O49 H49A 0.9001 . ?
C205 C206 1.525(3) . ?
C205 H20M 0.9900 . ?
C205 H20N 0.9900 . ?
C206 H20O 0.9800 . ?
C206 H20P 0.9800 . ?
C206 H20Q 0.9800 . ?
O49A C20A 1.430(3) . ?
O49A H49B 0.9002 . ?
C20A C20B 1.525(3) . ?
C20A H20R 0.9900 . ?
C20A H20S 0.9900 . ?
C20B H20T 0.9800 . ?
C20B H20U 0.9800 . ?
C20B H20V 0.9800 . ?
O50 C207 1.430(3) . ?
O50 H50A 0.8998 . ?
C207 C208 1.525(3) . ?
C207 H20W 0.9900 . ?
C207 H20X 0.9900 . ?
C208 H20Y 0.9800 . ?
C208 H20Z 0.9800 . ?
C208 H21A 0.9800 . ?
O50A C20C 1.430(3) . ?
O50A H50B 0.9002 . ?
C20C C20D 1.525(3) . ?
C20C H21B 0.9900 . ?
C20C H21C 0.9900 . ?
C20D H21D 0.9800 . ?
C20D H21E 0.9800 . ?
C20D H21F 0.9800 . ?
O51 C209 1.431(3) . ?
O51 H51A 0.9001 . ?
C209 C210 1.525(3) . ?
C209 H21G 0.9900 . ?
C209 H21H 0.9900 . ?
C210 H21I 0.9800 . ?
C210 H21J 0.9800 . ?
C210 H21K 0.9800 . ?
O51A C20F 1.431(3) . ?
O51A H51B 0.9003 . ?
C20F C21A 1.525(3) . ?
C20F H21L 0.9900 . ?
C20F H21M 0.9900 . ?
C21A H21N 0.9800 . ?
C21A H21O 0.9800 . ?
C21A H21P 0.9800 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O7 Si1 O1 Si2 8.3(10) . . . . ?
O6 Si1 O1 Si2 -114.2(8) . . . . ?
C1 Si1 O1 Si2 131.7(8) . . . . ?
C1A Si1 O1 Si2 145.4(7) . . . . ?
O8 Si2 O1 Si1 -6.9(9) . . . . ?
O2 Si2 O1 Si1 115.5(8) . . . . ?
C7 Si2 O1 Si1 -128.8(8) . . . . ?
O3 Si3 O2 Si2 127.5(6) . . . . ?
O9 Si3 O2 Si2 7.7(8) . . . . ?
C13 Si3 O2 Si2 -112.6(6) . . . . ?
O8 Si2 O2 Si3 17.4(8) . . . . ?
O1 Si2 O2 Si3 -104.9(7) . . . . ?
C7 Si2 O2 Si3 140.4(6) . . . . ?
O2 Si3 O3 Si4 -137.0(5) . . . . ?
O9 Si3 O3 Si4 -16.4(7) . . . . ?
C13 Si3 O3 Si4 103.2(6) . . . . ?
O10 Si4 O3 Si3 -13.2(7) . . . . ?
O4 Si4 O3 Si3 110.5(6) . . . . ?
C19 Si4 O3 Si3 -136.6(5) . . . . ?
O10 Si4 O4 Si5 -7.2(10) . . . . ?
O3 Si4 O4 Si5 -130.5(8) . . . . ?
C19 Si4 O4 Si5 121.1(8) . . . . ?
O11 Si5 O4 Si4 10.0(10) . . . . ?
O5 Si5 O4 Si4 133.9(8) . . . . ?
C25 Si5 O4 Si4 -112.6(8) . . . . ?
O6 Si6 O5 Si5 112.6(6) . . . . ?
O12 Si6 O5 Si5 -8.3(7) . . . . ?
C31 Si6 O5 Si5 -127.8(5) . . . . ?
O11 Si5 O5 Si6 31.7(7) . . . . ?
O4 Si5 O5 Si6 -91.9(6) . . . . ?
C25 Si5 O5 Si6 154.8(6) . . . . ?
O5 Si6 O6 Si1 -151.5(5) . . . . ?
O12 Si6 O6 Si1 -31.0(6) . . . . ?
C31 Si6 O6 Si1 88.3(5) . . . . ?
O7 Si1 O6 Si6 1.4(6) . . . . ?
O1 Si1 O6 Si6 126.3(5) . . . . ?
C1 Si1 O6 Si6 -117.4(6) . . . . ?
C1A Si1 O6 Si6 -125.1(6) . . . . ?
O1 Si1 O7 Cu1 -98.5(6) . . . . ?
O6 Si1 O7 Cu1 22.1(6) . . . . ?
C1 Si1 O7 Cu1 138.4(4) . . . . ?
C1A Si1 O7 Cu1 131.7(5) . . . . ?
O1 Si1 O7 Na1 33.0(5) . . . . ?
O6 Si1 O7 Na1 153.6(3) . . . . ?
C1 Si1 O7 Na1 -90.1(3) . . . . ?
C1A Si1 O7 Na1 -96.8(5) . . . . ?
O12 Cu1 O7 Si1 -11.2(6) . . . . ?
O13 Cu1 O7 Si1 163.9(5) . . . . ?
O12 Cu1 O7 Na1 -147.6(3) . . . . ?
O13 Cu1 O7 Na1 27.5(3) . . . . ?
O1 Si2 O8 Cu2 93.5(5) . . . . ?
O2 Si2 O8 Cu2 -26.3(6) . . . . ?
C7 Si2 O8 Cu2 -147.3(4) . . . . ?
O1 Si2 O8 Na1 -35.3(5) . . . . ?
O2 Si2 O8 Na1 -155.2(4) . . . . ?
C7 Si2 O8 Na1 83.8(3) . . . . ?
O9 Cu2 O8 Si2 10.0(5) . . . . ?
O17 Cu2 O8 Si2 -166.1(5) . . . . ?
Cu3 Cu2 O8 Si2 -5.1(6) . . . . ?
O9 Cu2 O8 Na1 144.7(3) . . . . ?
O17 Cu2 O8 Na1 -31.4(3) . . . . ?
O3 Si3 O9 Cu2 -149.2(4) . . . . ?
O2 Si3 O9 Cu2 -29.1(6) . . . . ?
C13 Si3 O9 Cu2 91.2(5) . . . . ?
O3 Si3 O9 Cu3 37.3(6) . . . . ?
O2 Si3 O9 Cu3 157.4(5) . . . . ?
C13 Si3 O9 Cu3 -82.3(6) . . . . ?
O4 Si4 O10 Cu3 -90.4(6) . . . . ?
O3 Si4 O10 Cu3 30.7(7) . . . . ?
C19 Si4 O10 Cu3 145.5(5) . . . . ?
O4 Si4 O10 Na2 29.5(6) . . . . ?
O3 Si4 O10 Na2 150.6(4) . . . . ?
C19 Si4 O10 Na2 -94.6(5) . . . . ?
O28 Cu3 O10 Si4 168.1(6) . . . . ?
O9 Cu3 O10 Si4 -14.6(6) . . . . ?
O27 Cu3 O10 Si4 39.9(19) . . . . ?
O28 Cu3 O10 Na2 34.8(3) . . . . ?
O9 Cu3 O10 Na2 -148.0(2) . . . . ?
O27 Cu3 O10 Na2 -93.5(15) . . . . ?
O4 Si5 O11 Cu4 96.5(6) . . . . ?
O5 Si5 O11 Cu4 -24.9(7) . . . . ?
C25 Si5 O11 Cu4 -144.6(4) . . . . ?
O4 Si5 O11 Na2 -36.1(6) . . . . ?
O5 Si5 O11 Na2 -157.5(4) . . . . ?
C25 Si5 O11 Na2 82.8(5) . . . . ?
O29 Cu4 O11 Si5 176.2(6) . . . . ?
O12 Cu4 O11 Si5 0.2(6) . . . . ?
O30 Cu4 O11 Si5 -52.6(18) . . . . ?
O29 Cu4 O11 Na2 -41.8(3) . . . . ?
O12 Cu4 O11 Na2 142.2(3) . . . . ?
O30 Cu4 O11 Na2 89.4(15) . . . . ?
O6 Si6 O12 Cu1 44.5(6) . . . . ?
O5 Si6 O12 Cu1 165.1(5) . . . . ?
C31 Si6 O12 Cu1 -74.8(5) . . . . ?
O6 Si6 O12 Cu4 -147.9(5) . . . . ?
O5 Si6 O12 Cu4 -27.3(7) . . . . ?
C31 Si6 O12 Cu4 92.8(5) . . . . ?
O18 Si7 O13 Cu1 138.7(4) . . . . ?
O14 Si7 O13 Cu1 -103.5(5) . . . . ?
C37 Si7 O13 Cu1 14.8(6) . . . . ?
O18 Si7 O13 Cu5 -9.4(5) . . . . ?
O14 Si7 O13 Cu5 108.4(4) . . . . ?
C37 Si7 O13 Cu5 -133.3(3) . . . . ?
O18 Si7 O13 Na1 -117.0(3) . . . . ?
O14 Si7 O13 Na1 0.7(3) . . . . ?
C37 Si7 O13 Na1 119.0(2) . . . . ?
O18 Si7 O14 Si8 -26.8(6) . . . . ?
O13 Si7 O14 Si8 -144.7(5) . . . . ?
C37 Si7 O14 Si8 94.7(5) . . . . ?
O18 Si7 O14 Na1 117.3(3) . . . . ?
O13 Si7 O14 Na1 -0.7(3) . . . . ?
C37 Si7 O14 Na1 -121.3(3) . . . . ?
O19 Si8 O14 Si7 6.2(6) . . . . ?
O15 Si8 O14 Si7 128.5(5) . . . . ?
C43 Si8 O14 Si7 -120.1(5) . . . . ?
O19 Si8 O14 Na1 -129.9(4) . . . . ?
O15 Si8 O14 Na1 -7.5(4) . . . . ?
C43 Si8 O14 Na1 103.9(3) . . . . ?
O19 Si8 O15 Si9 56.1(7) . . . . ?
O14 Si8 O15 Si9 -65.4(6) . . . . ?
C43 Si8 O15 Si9 -179.3(5) . . . . ?
O20 Si9 O15 Si8 -56.5(7) . . . . ?
O16 Si9 O15 Si8 63.6(6) . . . . ?
C49 Si9 O15 Si8 178.4(5) . . . . ?
O17 Si10 O16 Si9 151.5(5) . . . . ?
O21 Si10 O16 Si9 34.4(6) . . . . ?
C55 Si10 O16 Si9 -85.4(5) . . . . ?
O17 Si10 O16 Na1 -2.0(3) . . . . ?
O21 Si10 O16 Na1 -119.0(3) . . . . ?
C55 Si10 O16 Na1 121.2(3) . . . . ?
O20 Si9 O16 Si10 -12.8(6) . . . . ?
O15 Si9 O16 Si10 -134.1(5) . . . . ?
C49 Si9 O16 Si10 111.8(5) . . . . ?
O20 Si9 O16 Na1 134.0(4) . . . . ?
O15 Si9 O16 Na1 12.7(5) . . . . ?
C49 Si9 O16 Na1 -101.3(4) . . . . ?
O21 Si10 O17 Cu2 -140.8(4) . . . . ?
O16 Si10 O17 Cu2 102.6(5) . . . . ?
C55 Si10 O17 Cu2 -14.2(6) . . . . ?
O21 Si10 O17 Cu5 13.2(5) . . . . ?
O16 Si10 O17 Cu5 -103.4(4) . . . . ?
C55 Si10 O17 Cu5 139.8(3) . . . . ?
O21 Si10 O17 Na1 118.5(3) . . . . ?
O16 Si10 O17 Na1 1.9(3) . . . . ?
C55 Si10 O17 Na1 -114.9(3) . . . . ?
O13 Si7 O18 Cu8 149.8(4) . . . . ?
O14 Si7 O18 Cu8 34.5(5) . . . . ?
C37 Si7 O18 Cu8 -85.6(4) . . . . ?
O13 Si7 O18 Cu7 -50.7(5) . . . . ?
O14 Si7 O18 Cu7 -166.0(4) . . . . ?
C37 Si7 O18 Cu7 73.9(4) . . . . ?
O15 Si8 O19 Cu8 -107.7(5) . . . . ?
O14 Si8 O19 Cu8 12.3(6) . . . . ?
C43 Si8 O19 Cu8 134.2(5) . . . . ?
O15 Si8 O19 Na4 11.6(5) . . . . ?
O14 Si8 O19 Na4 131.6(4) . . . . ?
C43 Si8 O19 Na4 -106.4(4) . . . . ?
O40 Cu8 O19 Si8 166.4(6) . . . . ?
O18 Cu8 O19 Si8 -5.9(6) . . . . ?
O40 Cu8 O19 Na4 37.3(3) . . . . ?
O18 Cu8 O19 Na4 -135.1(2) . . . . ?
O16 Si9 O20 Cu9 -10.0(7) . . . . ?
O15 Si9 O20 Cu9 107.8(5) . . . . ?
C49 Si9 O20 Cu9 -131.1(5) . . . . ?
O16 Si9 O20 Na4 -128.0(4) . . . . ?
O15 Si9 O20 Na4 -10.2(5) . . . . ?
C49 Si9 O20 Na4 110.9(4) . . . . ?
O17 Si10 O21 Cu9 -153.1(4) . . . . ?
O16 Si10 O21 Cu9 -38.8(6) . . . . ?
C55 Si10 O21 Cu9 77.8(5) . . . . ?
O17 Si10 O21 Cu6 47.2(6) . . . . ?
O16 Si10 O21 Cu6 161.5(4) . . . . ?
C55 Si10 O21 Cu6 -81.9(5) . . . . ?
O27 Si11 O22 Cu5 8.4(5) . . . . ?
O23 Si11 O22 Cu5 -108.5(4) . . . . ?
C61 Si11 O22 Cu5 130.8(3) . . . . ?
O27 Si11 O22 Cu6 -138.6(4) . . . . ?
O23 Si11 O22 Cu6 104.5(5) . . . . ?
C61 Si11 O22 Cu6 -16.2(6) . . . . ?
O27 Si11 O22 Na3 117.5(3) . . . . ?
O23 Si11 O22 Na3 0.5(4) . . . . ?
C61 Si11 O22 Na3 -120.2(3) . . . . ?
O28 Si12 O23 Si11 -8.1(7) . . . . ?
O24 Si12 O23 Si11 -130.0(5) . . . . ?
C67 Si12 O23 Si11 117.7(5) . . . . ?
O28 Si12 O23 Na3 128.9(4) . . . . ?
O24 Si12 O23 Na3 7.0(5) . . . . ?
C67 Si12 O23 Na3 -105.2(3) . . . . ?
O27 Si11 O23 Si12 27.1(6) . . . . ?
O22 Si11 O23 Si12 144.7(5) . . . . ?
C61 Si11 O23 Si12 -94.9(6) . . . . ?
O27 Si11 O23 Na3 -118.1(3) . . . . ?
O22 Si11 O23 Na3 -0.5(3) . . . . ?
C61 Si11 O23 Na3 119.9(3) . . . . ?
O29 Si13 O24 Si12 56.9(7) . . . . ?
O25 Si13 O24 Si12 -64.7(6) . . . . ?
C73 Si13 O24 Si12 177.8(5) . . . . ?
O28 Si12 O24 Si13 -55.1(7) . . . . ?
O23 Si12 O24 Si13 66.6(6) . . . . ?
C67 Si12 O24 Si13 179.7(5) . . . . ?
O29 Si13 O25 Si14 10.6(7) . . . . ?
O24 Si13 O25 Si14 133.3(5) . . . . ?
C73 Si13 O25 Si14 -110.3(5) . . . . ?
O29 Si13 O25 Na3 -134.5(4) . . . . ?
O24 Si13 O25 Na3 -11.8(5) . . . . ?
C73 Si13 O25 Na3 104.6(4) . . . . ?
O26 Si14 O25 Si13 -148.7(5) . . . . ?
O30 Si14 O25 Si13 -31.3(6) . . . . ?
C79 Si14 O25 Si13 90.4(5) . . . . ?
O26 Si14 O25 Na3 3.2(3) . . . . ?
O30 Si14 O25 Na3 120.7(3) . . . . ?
C79 Si14 O25 Na3 -117.7(3) . . . . ?
O30 Si14 O26 Cu7 139.2(4) . . . . ?
O25 Si14 O26 Cu7 -103.4(5) . . . . ?
C79 Si14 O26 Cu7 13.8(6) . . . . ?
O30 Si14 O26 Cu5 -14.4(4) . . . . ?
O25 Si14 O26 Cu5 103.0(4) . . . . ?
C79 Si14 O26 Cu5 -139.8(3) . . . . ?
O30 Si14 O26 Na3 -120.7(3) . . . . ?
O25 Si14 O26 Na3 -3.2(3) . . . . ?
C79 Si14 O26 Na3 114.0(3) . . . . ?
O22 Si11 O27 Cu2 54.8(5) . . . . ?
O23 Si11 O27 Cu2 169.5(4) . . . . ?
C61 Si11 O27 Cu2 -67.9(5) . . . . ?
O22 Si11 O27 Cu3 -153.2(4) . . . . ?
O23 Si11 O27 Cu3 -38.4(5) . . . . ?
C61 Si11 O27 Cu3 84.1(4) . . . . ?
O23 Si12 O28 Cu3 -4.6(7) . . . . ?
O24 Si12 O28 Cu3 115.2(6) . . . . ?
C67 Si12 O28 Cu3 -125.4(6) . . . . ?
O23 Si12 O28 Na2 -133.5(4) . . . . ?
O24 Si12 O28 Na2 -13.8(5) . . . . ?
C67 Si12 O28 Na2 105.7(4) . . . . ?
O24 Si13 O29 Cu4 -105.5(5) . . . . ?
O25 Si13 O29 Cu4 14.1(6) . . . . ?
C73 Si13 O29 Cu4 134.7(5) . . . . ?
O24 Si13 O29 Na2 6.3(5) . . . . ?
O25 Si13 O29 Na2 125.9(4) . . . . ?
C73 Si13 O29 Na2 -113.5(4) . . . . ?
O26 Si14 O30 Cu4 148.1(4) . . . . ?
O25 Si14 O30 Cu4 32.4(6) . . . . ?
C79 Si14 O30 Cu4 -86.2(4) . . . . ?
O26 Si14 O30 Cu1 -43.6(6) . . . . ?
O25 Si14 O30 Cu1 -159.3(4) . . . . ?
C79 Si14 O30 Cu1 82.2(5) . . . . ?
O38 Si16 O31 Si15 20.3(9) . . . . ?
O32 Si16 O31 Si15 -103.0(8) . . . . ?
C91 Si16 O31 Si15 142.2(7) . . . . ?
C91A Si16 O31 Si15 139.9(8) . . . . ?
O37 Si15 O31 Si16 -19.4(9) . . . . ?
O36 Si15 O31 Si16 102.9(8) . . . . ?
C85 Si15 O31 Si16 -140.5(7) . . . . ?
O39 Si17 O32 Si16 -14.5(7) . . . . ?
O33 Si17 O32 Si16 -135.4(6) . . . . ?
C97 Si17 O32 Si16 105.5(6) . . . . ?
O38 Si16 O32 Si17 -10.4(7) . . . . ?
O31 Si16 O32 Si17 114.8(6) . . . . ?
C91 Si16 O32 Si17 -130.2(5) . . . . ?
C91A Si16 O32 Si17 -138.4(6) . . . . ?
O39 Si17 O33 Si18 20.6(8) . . . . ?
O32 Si17 O33 Si18 141.5(6) . . . . ?
C97 Si17 O33 Si18 -99.6(6) . . . . ?
O40 Si18 O33 Si17 6.4(8) . . . . ?
O34 Si18 O33 Si17 -118.9(6) . . . . ?
C103 Si18 O33 Si17 127.1(6) . . . . ?
O41 Si19 O34 Si18 18.1(10) . . . . ?
O35 Si19 O34 Si18 -106.2(8) . . . . ?
C109 Si19 O34 Si18 136.3(8) . . . . ?
O40 Si18 O34 Si19 -18.0(10) . . . . ?
O33 Si18 O34 Si19 105.6(8) . . . . ?
C103 Si18 O34 Si19 -143.6(7) . . . . ?
O36 Si20 O35 Si19 -128.1(6) . . . . ?
O42 Si20 O35 Si19 -6.8(8) . . . . ?
C115 Si20 O35 Si19 113.7(6) . . . . ?
O34 Si19 O35 Si20 107.9(6) . . . . ?
O41 Si19 O35 Si20 -15.6(8) . . . . ?
C109 Si19 O35 Si20 -133.2(6) . . . . ?
O35 Si20 O36 Si15 146.7(5) . . . . ?
O42 Si20 O36 Si15 26.6(7) . . . . ?
C115 Si20 O36 Si15 -92.1(5) . . . . ?
O37 Si15 O36 Si20 -1.4(7) . . . . ?
O31 Si15 O36 Si20 -125.7(6) . . . . ?
C85 Si15 O36 Si20 119.6(6) . . . . ?
O31 Si15 O37 Cu6 102.1(6) . . . . ?
O36 Si15 O37 Cu6 -18.0(6) . . . . ?
C85 Si15 O37 Cu6 -138.7(4) . . . . ?
O31 Si15 O37 Na3 -33.0(5) . . . . ?
O36 Si15 O37 Na3 -153.1(4) . . . . ?
C85 Si15 O37 Na3 86.3(3) . . . . ?
O42 Cu6 O37 Si15 8.3(6) . . . . ?
O22 Cu6 O37 Si15 -167.3(5) . . . . ?
O42 Cu6 O37 Na3 147.8(3) . . . . ?
O22 Cu6 O37 Na3 -27.8(3) . . . . ?
O31 Si16 O38 Cu7 -97.4(6) . . . . ?
O32 Si16 O38 Cu7 24.3(6) . . . . ?
C91 Si16 O38 Cu7 142.2(4) . . . . ?
C91A Si16 O38 Cu7 152.1(4) . . . . ?
O31 Si16 O38 Na3 30.0(5) . . . . ?
O32 Si16 O38 Na3 151.7(3) . . . . ?
C91 Si16 O38 Na3 -90.4(3) . . . . ?
C91A Si16 O38 Na3 -80.5(4) . . . . ?
O26 Cu7 O38 Si16 163.3(5) . . . . ?
O39 Cu7 O38 Si16 -10.9(5) . . . . ?
Cu8 Cu7 O38 Si16 -0.4(7) . . . . ?
O26 Cu7 O38 Na3 30.6(3) . . . . ?
O39 Cu7 O38 Na3 -143.6(3) . . . . ?
Cu8 Cu7 O38 Na3 -133.15(18) . . . . ?
O33 Si17 O39 Cu7 152.8(5) . . . . ?
O32 Si17 O39 Cu7 32.1(6) . . . . ?
C97 Si17 O39 Cu7 -87.4(5) . . . . ?
O33 Si17 O39 Cu8 -39.4(6) . . . . ?
O32 Si17 O39 Cu8 -160.1(4) . . . . ?
C97 Si17 O39 Cu8 80.4(5) . . . . ?
O33 Si18 O40 Cu8 -22.4(7) . . . . ?
O34 Si18 O40 Cu8 99.4(6) . . . . ?
C103 Si18 O40 Cu8 -137.4(5) . . . . ?
O33 Si18 O40 Na4 -148.4(4) . . . . ?
O34 Si18 O40 Na4 -26.5(6) . . . . ?
C103 Si18 O40 Na4 96.7(4) . . . . ?
O34 Si19 O41 Cu9 -102.2(7) . . . . ?
O35 Si19 O41 Cu9 20.8(8) . . . . ?
C109 Si19 O41 Cu9 138.3(6) . . . . ?
O34 Si19 O41 Na4 25.2(6) . . . . ?
O35 Si19 O41 Na4 148.2(4) . . . . ?
C109 Si19 O41 Na4 -94.4(5) . . . . ?
O20 Cu9 O41 Si19 177.7(6) . . . . ?
O42 Cu9 O41 Si19 -4.3(7) . . . . ?
O20 Cu9 O41 Na4 40.2(3) . . . . ?
O42 Cu9 O41 Na4 -141.9(3) . . . . ?
O35 Si20 O42 Cu6 -159.8(5) . . . . ?
O36 Si20 O42 Cu6 -38.4(6) . . . . ?
C115 Si20 O42 Cu6 78.5(6) . . . . ?
O35 Si20 O42 Cu9 30.5(7) . . . . ?
O36 Si20 O42 Cu9 151.9(5) . . . . ?
C115 Si20 O42 Cu9 -91.2(6) . . . . ?
O7 Si1 C1 C2 174.6(5) . . . . ?
O1 Si1 C1 C2 48.6(5) . . . . ?
O6 Si1 C1 C2 -66.2(5) . . . . ?
C1A Si1 C1 C2 -31.0(19) . . . . ?
O7 Si1 C1 C6 -5.4(5) . . . . ?
O1 Si1 C1 C6 -131.4(5) . . . . ?
O6 Si1 C1 C6 113.8(5) . . . . ?
C1A Si1 C1 C6 149.0(19) . . . . ?
O7 Si1 C1A C2A 146.5(8) . . . . ?
O1 Si1 C1A C2A 13.3(8) . . . . ?
O6 Si1 C1A C2A -95.9(8) . . . . ?
O7 Si1 C1A C6A -33.5(8) . . . . ?
O1 Si1 C1A C6A -166.7(8) . . . . ?
O6 Si1 C1A C6A 84.1(8) . . . . ?
O8 Si2 C7 C8 174.4(4) . . . . ?
O1 Si2 C7 C8 -63.6(4) . . . . ?
O2 Si2 C7 C8 51.4(4) . . . . ?
O8 Si2 C7 C12 -5.6(4) . . . . ?
O1 Si2 C7 C12 116.4(4) . . . . ?
O2 Si2 C7 C12 -128.6(4) . . . . ?
O3 Si3 C13 C14 127.7(5) . . . . ?
O2 Si3 C13 C14 7.8(5) . . . . ?
O9 Si3 C13 C14 -113.0(5) . . . . ?
O3 Si3 C13 C18 -52.3(5) . . . . ?
O2 Si3 C13 C18 -172.2(5) . . . . ?
O9 Si3 C13 C18 67.0(5) . . . . ?
O10 Si4 C19 C24 104.8(5) . . . . ?
O4 Si4 C19 C24 -21.6(5) . . . . ?
O3 Si4 C19 C24 -134.5(4) . . . . ?
O10 Si4 C19 C20 -75.2(5) . . . . ?
O4 Si4 C19 C20 158.4(5) . . . . ?
O3 Si4 C19 C20 45.5(4) . . . . ?
O11 Si5 C25 C30 -170.5(4) . . . . ?
O4 Si5 C25 C30 -48.2(4) . . . . ?
O5 Si5 C25 C30 66.4(4) . . . . ?
O11 Si5 C25 C26 9.5(4) . . . . ?
O4 Si5 C25 C26 131.8(4) . . . . ?
O5 Si5 C25 C26 -113.6(4) . . . . ?
O6 Si6 C31 C36 20.0(4) . . . . ?
O5 Si6 C31 C36 -100.1(4) . . . . ?
O12 Si6 C31 C36 140.1(4) . . . . ?
O6 Si6 C31 C32 -160.0(4) . . . . ?
O5 Si6 C31 C32 79.9(4) . . . . ?
O12 Si6 C31 C32 -39.9(4) . . . . ?
O18 Si7 C37 C42 -162.9(3) . . . . ?
O13 Si7 C37 C42 -39.7(3) . . . . ?
O14 Si7 C37 C42 76.7(3) . . . . ?
O18 Si7 C37 C38 17.1(3) . . . . ?
O13 Si7 C37 C38 140.3(3) . . . . ?
O14 Si7 C37 C38 -103.3(3) . . . . ?
O19 Si8 C43 C48 90.1(4) . . . . ?
O15 Si8 C43 C48 -32.4(4) . . . . ?
O14 Si8 C43 C48 -146.4(4) . . . . ?
O19 Si8 C43 C44 -89.9(4) . . . . ?
O15 Si8 C43 C44 147.6(4) . . . . ?
O14 Si8 C43 C44 33.6(4) . . . . ?
O20 Si9 C49 C50 -121.0(4) . . . . ?
O16 Si9 C49 C50 116.6(4) . . . . ?
O15 Si9 C49 C50 3.0(4) . . . . ?
O20 Si9 C49 C54 59.0(4) . . . . ?
O16 Si9 C49 C54 -63.3(4) . . . . ?
O15 Si9 C49 C54 -177.0(4) . . . . ?
O17 Si10 C55 C60 -128.4(4) . . . . ?
O21 Si10 C55 C60 -2.8(4) . . . . ?
O16 Si10 C55 C60 115.4(4) . . . . ?
O17 Si10 C55 C56 51.6(4) . . . . ?
O21 Si10 C55 C56 177.2(4) . . . . ?
O16 Si10 C55 C56 -64.6(4) . . . . ?
Na1 Si10 C55 C56 -9.8(3) . . . . ?
O27 Si11 C61 C62 -14.1(4) . . . . ?
O22 Si11 C61 C62 -136.0(4) . . . . ?
O23 Si11 C61 C62 106.9(4) . . . . ?
O27 Si11 C61 C66 165.9(4) . . . . ?
O22 Si11 C61 C66 44.0(4) . . . . ?
O23 Si11 C61 C66 -73.1(4) . . . . ?
O28 Si12 C67 C68 88.9(4) . . . . ?
O23 Si12 C67 C68 -34.5(4) . . . . ?
O24 Si12 C67 C68 -148.4(4) . . . . ?
O28 Si12 C67 C72 -91.1(5) . . . . ?
O23 Si12 C67 C72 145.6(4) . . . . ?
O24 Si12 C67 C72 31.6(4) . . . . ?
O29 Si13 C73 C74 106.6(4) . . . . ?
O24 Si13 C73 C74 -16.0(4) . . . . ?
O25 Si13 C73 C74 -132.0(4) . . . . ?
O29 Si13 C73 C78 -73.4(4) . . . . ?
O24 Si13 C73 C78 164.0(4) . . . . ?
O25 Si13 C73 C78 48.0(4) . . . . ?
O26 Si14 C79 C84 123.5(4) . . . . ?
O30 Si14 C79 C84 -0.2(3) . . . . ?
O25 Si14 C79 C84 -119.9(3) . . . . ?
O26 Si14 C79 C80 -56.5(3) . . . . ?
O30 Si14 C79 C80 179.8(3) . . . . ?
O25 Si14 C79 C80 60.1(3) . . . . ?
O37 Si15 C85 C86 -175.6(4) . . . . ?
O31 Si15 C85 C86 -52.0(4) . . . . ?
O36 Si15 C85 C86 62.9(4) . . . . ?
O37 Si15 C85 C90 4.4(4) . . . . ?
O31 Si15 C85 C90 128.0(4) . . . . ?
O36 Si15 C85 C90 -117.2(4) . . . . ?
O38 Si16 C91 C96 -54.9(5) . . . . ?
O31 Si16 C91 C96 -179.3(5) . . . . ?
O32 Si16 C91 C96 65.4(5) . . . . ?
C91A Si16 C91 C96 -165.7(18) . . . . ?
O38 Si16 C91 C92 125.1(5) . . . . ?
O31 Si16 C91 C92 0.7(5) . . . . ?
O32 Si16 C91 C92 -114.6(5) . . . . ?
C91A Si16 C91 C92 14.3(18) . . . . ?
O38 Si16 C91A C92A -12.6(8) . . . . ?
O31 Si16 C91A C92A -132.8(8) . . . . ?
O32 Si16 C91A C92A 114.2(8) . . . . ?
C91 Si16 C91A C92A 60.3(19) . . . . ?
O38 Si16 C91A C96A 167.4(8) . . . . ?
O31 Si16 C91A C96A 47.2(8) . . . . ?
O32 Si16 C91A C96A -65.8(8) . . . . ?
C91 Si16 C91A C96A -119.7(19) . . . . ?
O39 Si17 C97 C98 43.1(4) . . . . ?
O33 Si17 C97 C98 163.3(4) . . . . ?
O32 Si17 C97 C98 -77.2(4) . . . . ?
O39 Si17 C97 C102 -136.9(4) . . . . ?
O33 Si17 C97 C102 -16.6(4) . . . . ?
O32 Si17 C97 C102 102.8(4) . . . . ?
O40 Si18 C103 C108 -142.9(4) . . . . ?
O33 Si18 C103 C108 97.4(4) . . . . ?
O34 Si18 C103 C108 -16.5(4) . . . . ?
O40 Si18 C103 C104 37.1(4) . . . . ?
O33 Si18 C103 C104 -82.6(4) . . . . ?
O34 Si18 C103 C104 163.5(4) . . . . ?
O34 Si19 C109 C110 -31.6(4) . . . . ?
O41 Si19 C109 C110 88.7(5) . . . . ?
O35 Si19 C109 C110 -150.7(4) . . . . ?
O34 Si19 C109 C114 148.4(4) . . . . ?
O41 Si19 C109 C114 -91.3(5) . . . . ?
O35 Si19 C109 C114 29.3(4) . . . . ?
O35 Si20 C115 C120 120.9(5) . . . . ?
O36 Si20 C115 C120 0.2(4) . . . . ?
O42 Si20 C115 C120 -119.1(5) . . . . ?
O35 Si20 C115 C116 -59.1(5) . . . . ?
O36 Si20 C115 C116 -179.8(4) . . . . ?
O42 Si20 C115 C116 60.9(5) . . . . ?
Na1 O43 C121 C122 111.0(12) . . . . ?
C14A P2 N1 P1 109.5(9) . . . . ?
C153 P2 N1 P1 -162.7(8) . . . . ?
C159 P2 N1 P1 -34.4(11) . . . . ?
C15A P2 N1 P1 -137.2(9) . . . . ?
C147 P2 N1 P1 82.9(10) . . . . ?
C141 P1 N1 P2 8.7(11) . . . . ?
C135 P1 N1 P2 126.6(9) . . . . ?
C129 P1 N1 P2 -114.5(9) . . . . ?
N1 P1 C129 C130 -34.7(5) . . . . ?
C141 P1 C129 C130 -159.1(4) . . . . ?
C135 P1 C129 C130 84.8(4) . . . . ?
N1 P1 C129 C134 145.3(5) . . . . ?
C141 P1 C129 C134 20.9(4) . . . . ?
C135 P1 C129 C134 -95.2(4) . . . . ?
N1 P1 C135 C136 167.9(4) . . . . ?
C141 P1 C135 C136 -71.3(3) . . . . ?
C129 P1 C135 C136 46.3(4) . . . . ?
N1 P1 C135 C140 -12.1(4) . . . . ?
C141 P1 C135 C140 108.7(3) . . . . ?
C129 P1 C135 C140 -133.7(4) . . . . ?
N1 P1 C141 C146 -65.1(5) . . . . ?
C135 P1 C141 C146 176.0(4) . . . . ?
C129 P1 C141 C146 59.6(3) . . . . ?
N1 P1 C141 C142 115.0(5) . . . . ?
C135 P1 C141 C142 -3.9(4) . . . . ?
C129 P1 C141 C142 -120.4(3) . . . . ?
N1 P2 C147 C152 15.0(6) . . . . ?
C14A P2 C147 C152 -110.1(7) . . . . ?
C153 P2 C147 C152 -103.4(5) . . . . ?
C159 P2 C147 C152 137.0(5) . . . . ?
C15A P2 C147 C152 -110.6(6) . . . . ?
N1 P2 C147 C148 -164.9(6) . . . . ?
C14A P2 C147 C148 69.9(7) . . . . ?
C153 P2 C147 C148 76.6(5) . . . . ?
C159 P2 C147 C148 -42.9(5) . . . . ?
C15A P2 C147 C148 69.5(6) . . . . ?
N1 P2 C14A C15J 136.4(9) . . . . ?
C153 P2 C14A C15J 30.0(8) . . . . ?
C159 P2 C14A C15J -80.0(8) . . . . ?
C15A P2 C14A C15J 23.0(8) . . . . ?
C147 P2 C14A C15J -156.6(9) . . . . ?
N1 P2 C14A C14B -43.6(9) . . . . ?
C153 P2 C14A C14B -150.0(8) . . . . ?
C159 P2 C14A C14B 100.0(8) . . . . ?
C15A P2 C14A C14B -157.0(8) . . . . ?
C147 P2 C14A C14B 23.4(9) . . . . ?
N1 P2 C153 C154 33.9(6) . . . . ?
C14A P2 C153 C154 154.9(5) . . . . ?
C159 P2 C153 C154 -94.3(5) . . . . ?
C15A P2 C153 C154 -41.1(8) . . . . ?
C147 P2 C153 C154 151.7(5) . . . . ?
N1 P2 C153 C158 -146.1(6) . . . . ?
C14A P2 C153 C158 -25.1(5) . . . . ?
C159 P2 C153 C158 85.7(5) . . . . ?
C15A P2 C153 C158 138.9(8) . . . . ?
C147 P2 C153 C158 -28.3(5) . . . . ?
N1 P2 C15A C15B -30.9(8) . . . . ?
C14A P2 C15A C15B 97.4(8) . . . . ?
C153 P2 C15A C15B 81.5(9) . . . . ?
C159 P2 C15A C15B -146.2(8) . . . . ?
C147 P2 C15A C15B 97.6(8) . . . . ?
N1 P2 C15A C15F 149.1(8) . . . . ?
C14A P2 C15A C15F -82.6(8) . . . . ?
C153 P2 C15A C15F -98.5(9) . . . . ?
C159 P2 C15A C15F 33.8(8) . . . . ?
C147 P2 C15A C15F -82.4(8) . . . . ?
N1 P2 C159 C164 117.8(6) . . . . ?
C14A P2 C159 C164 -29.6(6) . . . . ?
C153 P2 C159 C164 -115.3(5) . . . . ?
C15A P2 C159 C164 -135.9(5) . . . . ?
C147 P2 C159 C164 -2.1(4) . . . . ?
N1 P2 C159 C160 -62.3(6) . . . . ?
C14A P2 C159 C160 150.4(6) . . . . ?
C153 P2 C159 C160 64.6(5) . . . . ?
C15A P2 C159 C160 44.1(5) . . . . ?
C147 P2 C159 C160 177.9(4) . . . . ?
C171 P3 N2 P4 -16.4(16) . . . . ?
C177 P3 N2 P4 114.0(12) . . . . ?
C165 P3 N2 P4 -135.0(13) . . . . ?
C195 P4 N2 P3 -61.5(14) . . . . ?
C183 P4 N2 P3 -179.8(12) . . . . ?
C18A P4 N2 P3 35.6(16) . . . . ?
C189 P4 N2 P3 68.2(15) . . . . ?
C19F P4 N2 P3 -65.7(14) . . . . ?
N2 P3 C165 C166 24.9(6) . . . . ?
C171 P3 C165 C166 -97.1(5) . . . . ?
C177 P3 C165 C166 142.2(5) . . . . ?
N2 P3 C165 C170 -155.1(6) . . . . ?
C171 P3 C165 C170 82.9(5) . . . . ?
C177 P3 C165 C170 -37.8(5) . . . . ?
N2 P3 C171 C176 85.5(6) . . . . ?
C177 P3 C171 C176 -42.9(5) . . . . ?
C165 P3 C171 C176 -154.7(6) . . . . ?
N2 P3 C171 C172 -94.5(6) . . . . ?
C177 P3 C171 C172 137.1(5) . . . . ?
C165 P3 C171 C172 25.3(6) . . . . ?
N2 P3 C177 C182 10.1(6) . . . . ?
C171 P3 C177 C182 139.2(5) . . . . ?
C165 P3 C177 C182 -105.7(5) . . . . ?
N2 P3 C177 C178 -169.8(6) . . . . ?
C171 P3 C177 C178 -40.8(5) . . . . ?
C165 P3 C177 C178 74.4(5) . . . . ?
N2 P4 C183 C188 -3.1(6) . . . . ?
C195 P4 C183 C188 -128.6(5) . . . . ?
C18A P4 C183 C188 135.0(6) . . . . ?
C189 P4 C183 C188 114.8(4) . . . . ?
C19F P4 C183 C188 -119.3(5) . . . . ?
N2 P4 C183 C184 176.9(6) . . . . ?
C195 P4 C183 C184 51.4(5) . . . . ?
C18A P4 C183 C184 -45.0(6) . . . . ?
C189 P4 C183 C184 -65.2(4) . . . . ?
C19F P4 C183 C184 60.7(5) . . . . ?
N2 P4 C189 C194 -72.4(7) . . . . ?
C195 P4 C189 C194 60.4(5) . . . . ?
C183 P4 C189 C194 173.2(5) . . . . ?
C18A P4 C189 C194 26.5(7) . . . . ?
C19F P4 C189 C194 56.3(7) . . . . ?
N2 P4 C189 C190 107.6(7) . . . . ?
C195 P4 C189 C190 -119.6(5) . . . . ?
C183 P4 C189 C190 -6.8(5) . . . . ?
C18A P4 C189 C190 -153.5(7) . . . . ?
C19F P4 C189 C190 -123.7(7) . . . . ?
N2 P4 C18A C19E -86.8(10) . . . . ?
C195 P4 C18A C19E 30.8(9) . . . . ?
C183 P4 C18A C19E 137.3(10) . . . . ?
C189 P4 C18A C19E 179.3(9) . . . . ?
C19F P4 C18A C19E 25.1(9) . . . . ?
N2 P4 C18A C19A 93.2(10) . . . . ?
C195 P4 C18A C19A -149.2(9) . . . . ?
C183 P4 C18A C19A -42.7(10) . . . . ?
C189 P4 C18A C19A -0.7(9) . . . . ?
C19F P4 C18A C19A -154.9(9) . . . . ?
N2 P4 C195 C196 -39.7(8) . . . . ?
C183 P4 C195 C196 79.3(7) . . . . ?
C18A P4 C195 C196 -153.4(7) . . . . ?
C189 P4 C195 C196 -169.7(7) . . . . ?
C19F P4 C195 C196 -13(2) . . . . ?
N2 P4 C195 C200 140.3(8) . . . . ?
C183 P4 C195 C200 -100.7(7) . . . . ?
C18A P4 C195 C200 26.6(7) . . . . ?
C189 P4 C195 C200 10.3(7) . . . . ?
C19F P4 C195 C200 167(2) . . . . ?
