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#$Date: 2024-12-06 22:06:27 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296620 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/24/1572456.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_1572456
loop_
_publ_author_name
'Zueva, Anna Y.'
'Bilyachenko, Alexey N.'
'Khrustalev, Victor N.'
'Shul'pina, Lidia S.'
'Ikonnikov, Nikolay S.'
'Dorovatovskii, Pavel V.'
'Shubina, Elena S.'
'Ragimov, Karim'
'Lobanov, Nikolai N.'
'Sun, Di'
_publ_section_title
;
 Rational (supra)molecular design and catalytic activity of cage-like
 Cu₄-based phenylsilsesquioxanes.
;
_journal_issue                   39
_journal_name_full               Nanoscale
_journal_page_first              18389
_journal_page_last               18398
_journal_paper_doi               10.1039/d4nr02173h
_journal_volume                  16
_journal_year                    2024
_chemical_formula_moiety         'C80 H84 Cu4 O28 Rb4 Si12'
_chemical_formula_sum            'C80 H84 Cu4 O28 Rb4 Si12'
_chemical_formula_weight         2426.64
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     difmap
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2013
_audit_update_record
;
2024-05-14 deposited with the CCDC.	2024-08-22 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 135.1920(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   35.912(2)
_cell_length_b                   14.9169(7)
_cell_length_c                   25.5340(17)
_cell_measurement_reflns_used    6012
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.0
_cell_measurement_theta_min      3.0
_cell_volume                     9639.7(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 0.992
_diffrn_measured_fraction_theta_max 0.970
_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  0.1122
_diffrn_reflns_av_unetI/netI     0.0956
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.970
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            57156
_diffrn_reflns_point_group_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.970
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.702
_diffrn_reflns_theta_min         2.731
_exptl_absorpt_coefficient_mu    3.101
_exptl_absorpt_correction_T_max  0.721
_exptl_absorpt_correction_T_min  0.613
_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    1.672
_exptl_crystal_description       prism
_exptl_crystal_F_000             4880
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.10
_refine_diff_density_max         5.381
_refine_diff_density_min         -4.146
_refine_diff_density_rms         0.208
_refine_ls_extinction_coef       0.00011(1)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     401
_refine_ls_number_reflns         10989
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      0.999
_refine_ls_R_factor_all          0.1749
_refine_ls_R_factor_gt           0.1100
_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+600P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2105
_refine_ls_wR_factor_ref         0.2458
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6601
_reflns_number_total             10989
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nr02173h2.cif
_cod_data_source_block           13a
_cod_depositor_comments
'Adding full bibliography for 1572445--1572463.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1572456
_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   0.637
_shelx_estimated_absorpt_t_max   0.747
_shelxl_version_number           2013-4
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Rb1 Rb 0.54422(5) 0.40022(8) 0.59314(6) 0.0369(3) Uani 1 1 d . . . . .
Rb2 Rb 0.69829(6) 0.34308(12) 0.99213(8) 0.0620(5) Uani 1 1 d . . . . .
Cu1 Cu 0.51348(5) 0.47538(9) 0.70418(7) 0.0277(3) Uani 1 1 d . . . . .
Cu2 Cu 0.44141(6) 0.27086(9) 0.67791(8) 0.0323(3) Uani 1 1 d . . . . .
Si1 Si 0.39599(12) 0.5148(2) 0.62374(17) 0.0299(6) Uani 1 1 d . . . . .
Si2 Si 0.41188(12) 0.4786(2) 0.52747(17) 0.0309(7) Uani 1 1 d . . . . .
Si3 Si 0.41675(13) 0.2807(2) 0.52777(18) 0.0345(7) Uani 1 1 d . . . . .
Si4 Si 0.52214(14) 0.2298(2) 0.66713(19) 0.0348(7) Uani 1 1 d . . . . .
Si5 Si 0.63302(14) 0.2665(2) 0.79359(19) 0.0355(7) Uani 1 1 d . . . . .
Si6 Si 0.63739(12) 0.4645(2) 0.80267(18) 0.0323(7) Uani 1 1 d . . . . .
O1 O 0.3760(3) 0.4855(5) 0.5457(4) 0.0359(18) Uani 1 1 d . . . . .
O2 O 0.4006(3) 0.3812(5) 0.4901(4) 0.0364(18) Uani 1 1 d . . . . .
O3 O 0.4804(3) 0.2707(5) 0.5823(4) 0.0336(17) Uani 1 1 d . . . . .
O4 O 0.5799(3) 0.2593(5) 0.7040(4) 0.0363(18) Uani 1 1 d . . . . .
O5 O 0.6588(3) 0.3652(6) 0.8073(5) 0.0387(19) Uani 1 1 d . . . . .
O6 O 0.5774(3) 0.4799(5) 0.7286(4) 0.0307(16) Uani 1 1 d . . . . .
O7 O 0.4530(3) 0.4720(5) 0.6924(4) 0.0314(16) Uani 1 1 d . . . . .
O8 O 0.4720(3) 0.4956(5) 0.6011(4) 0.0309(17) Uani 1 1 d . . . . .
O9 O 0.4029(3) 0.2659(5) 0.5748(4) 0.0356(18) Uani 1 1 d . . . . .
O10 O 0.5108(3) 0.2725(5) 0.7133(4) 0.0361(18) Uani 1 1 d . . . . .
O11 O 0.6199(3) 0.2512(5) 0.8414(4) 0.0375(19) Uani 1 1 d . . . . .
O12 O 0.6463(3) 0.4743(6) 0.8761(4) 0.0350(18) Uani 1 1 d . . . . .
O13 O 0.5194(3) 0.5859(5) 0.5626(4) 0.043(2) Uani 1 1 d D . . . .
H13 H 0.4958 0.6006 0.5645 0.065 Uiso 1 1 d R U . B .
O14 O 0.7942(5) 0.3351(7) 1.0245(7) 0.042(3) Uani 0.75 1 d D . P A 1
H14A H 0.8213 0.3499 1.0727 0.063 Uiso 0.75 1 d R U P A 1
O14' O 0.7701(12) 0.363(2) 0.992(2) 0.042(3) Uani 0.25 1 d D . P A 2
H14B H 0.7553 0.3502 0.9461 0.063 Uiso 0.25 1 d R U P A 2
C1 C 0.3944(6) 0.6383(10) 0.6271(9) 0.0576(15) Uani 1 1 d . . . . .
C2 C 0.4316(6) 0.6858(9) 0.6943(9) 0.0576(15) Uani 1 1 d . . . . .
H2 H 0.4615 0.6555 0.7380 0.069 Uiso 1 1 calc R U . . .
C3 C 0.4248(6) 0.7775(10) 0.6972(9) 0.0576(15) Uani 1 1 d . . . . .
H3 H 0.4491 0.8089 0.7431 0.069 Uiso 1 1 calc R U . . .
C4 C 0.3829(6) 0.8216(10) 0.6331(9) 0.0576(15) Uani 1 1 d . . . . .
H4 H 0.3795 0.8843 0.6353 0.069 Uiso 1 1 calc R U . . .
C5 C 0.3450(6) 0.7779(10) 0.5649(9) 0.0576(15) Uani 1 1 d . . . . .
H5 H 0.3154 0.8086 0.5211 0.069 Uiso 1 1 calc R U . . .
C6 C 0.3531(6) 0.6855(10) 0.5648(9) 0.0576(15) Uani 1 1 d . . . . .
H6 H 0.3286 0.6542 0.5189 0.069 Uiso 1 1 calc R U . . .
C7 C 0.3874(5) 0.5689(9) 0.4579(7) 0.0441(12) Uani 1 1 d . . . . .
C8 C 0.4027(5) 0.6540(9) 0.4835(7) 0.0441(12) Uani 1 1 d . . . . .
H8 H 0.4255 0.6648 0.5352 0.053 Uiso 1 1 calc R U . . .
C9 C 0.3854(5) 0.7280(9) 0.4352(7) 0.0441(12) Uani 1 1 d . . . . .
H9 H 0.3973 0.7868 0.4553 0.053 Uiso 1 1 calc R U . . .
C10 C 0.3530(5) 0.7156(9) 0.3624(7) 0.0441(12) Uani 1 1 d . . . . .
H10 H 0.3415 0.7650 0.3303 0.053 Uiso 1 1 calc R U . . .
C11 C 0.3363(5) 0.6290(9) 0.3342(7) 0.0441(12) Uani 1 1 d . . . . .
H11 H 0.3133 0.6190 0.2824 0.053 Uiso 1 1 calc R U . . .
C12 C 0.3533(5) 0.5560(9) 0.3817(7) 0.0441(12) Uani 1 1 d . . . . .
H12 H 0.3414 0.4973 0.3617 0.053 Uiso 1 1 calc R U . . .
C13 C 0.3849(7) 0.1982(10) 0.4516(8) 0.0643(17) Uani 1 1 d . . . . .
C14 C 0.3486(7) 0.2185(11) 0.3768(8) 0.0643(17) Uani 1 1 d . . . . .
H14 H 0.3384 0.2792 0.3614 0.077 Uiso 1 1 calc R U . . .
C15 C 0.3264(7) 0.1514(10) 0.3226(8) 0.0643(17) Uani 1 1 d . . . . .
H15 H 0.3006 0.1675 0.2715 0.077 Uiso 1 1 calc R U . . .
C16 C 0.3410(7) 0.0652(10) 0.3418(8) 0.0643(17) Uani 1 1 d . . . . .
H16 H 0.3262 0.0199 0.3054 0.077 Uiso 1 1 calc R U . . .
C17 C 0.3770(7) 0.0456(11) 0.4141(8) 0.0643(17) Uani 1 1 d . . . . .
H17 H 0.3890 -0.0145 0.4292 0.077 Uiso 1 1 calc R U . . .
C18 C 0.3975(7) 0.1095(10) 0.4677(8) 0.0643(17) Uani 1 1 d . . . . .
H18 H 0.4215 0.0910 0.5182 0.077 Uiso 1 1 calc R U . . .
C19 C 0.5163(7) 0.1063(10) 0.6603(10) 0.0662(18) Uani 1 1 d . . . . .
C20 C 0.4868(7) 0.0581(10) 0.6670(10) 0.0662(18) Uani 1 1 d . . . . .
H20 H 0.4723 0.0885 0.6821 0.079 Uiso 1 1 calc R U . . .
C21 C 0.4777(7) -0.0338(10) 0.6523(9) 0.0662(18) Uani 1 1 d . . . . .
H21 H 0.4576 -0.0655 0.6575 0.079 Uiso 1 1 calc R U . . .
C22 C 0.4978(7) -0.0769(10) 0.6308(9) 0.0662(18) Uani 1 1 d . . . . .
H22 H 0.4903 -0.1388 0.6187 0.079 Uiso 1 1 calc R U . . .
C23 C 0.5291(7) -0.0341(10) 0.6255(9) 0.0662(18) Uani 1 1 d . . . . .
H23 H 0.5445 -0.0668 0.6129 0.079 Uiso 1 1 calc R U . . .
C24 C 0.5379(7) 0.0592(10) 0.6392(9) 0.0662(18) Uani 1 1 d . . . . .
H24 H 0.5584 0.0899 0.6342 0.079 Uiso 1 1 calc R U . . .
C25 C 0.6788(5) 0.1776(10) 0.8154(8) 0.0499(14) Uani 1 1 d . . . . .
C26 C 0.6687(6) 0.0895(9) 0.8200(7) 0.0499(14) Uani 1 1 d . . . . .
H26 H 0.6394 0.0782 0.8132 0.060 Uiso 1 1 calc R U . . .
C27 C 0.6993(5) 0.0166(10) 0.8341(7) 0.0499(14) Uani 1 1 d . . . . .
H27 H 0.6906 -0.0429 0.8357 0.060 Uiso 1 1 calc R U . . .
C28 C 0.7418(5) 0.0336(10) 0.8456(7) 0.0499(14) Uani 1 1 d . . . . .
H28 H 0.7640 -0.0146 0.8571 0.060 Uiso 1 1 calc R U . . .
C29 C 0.7533(6) 0.1189(9) 0.8408(7) 0.0499(14) Uani 1 1 d . . . . .
H29 H 0.7826 0.1296 0.8476 0.060 Uiso 1 1 calc R U . . .
C30 C 0.7211(5) 0.1910(10) 0.8256(7) 0.0499(14) Uani 1 1 d . . . . .
H30 H 0.7292 0.2502 0.8224 0.060 Uiso 1 1 calc R U . . .
C31 C 0.6815(6) 0.5469(11) 0.8151(10) 0.0632(17) Uani 1 1 d . . . . .
C32 C 0.7224(6) 0.5280(11) 0.8228(9) 0.0632(17) Uani 1 1 d . . . . .
H32 H 0.7301 0.4670 0.8227 0.076 Uiso 1 1 calc R U . . .
C33 C 0.7540(6) 0.5959(11) 0.8309(9) 0.0632(17) Uani 1 1 d . . . . .
H33 H 0.7792 0.5804 0.8298 0.076 Uiso 1 1 calc R U . . .
C34 C 0.7484(6) 0.6815(11) 0.8399(9) 0.0632(17) Uani 1 1 d . . . . .
H34 H 0.7715 0.7261 0.8493 0.076 Uiso 1 1 calc R U . . .
C35 C 0.7103(6) 0.7038(11) 0.8355(9) 0.0632(17) Uani 1 1 d . . . . .
H35 H 0.7061 0.7642 0.8424 0.076 Uiso 1 1 calc R U . . .
C36 C 0.6764(6) 0.6363(11) 0.8205(9) 0.0632(17) Uani 1 1 d . . . . .
H36 H 0.6477 0.6543 0.8136 0.076 Uiso 1 1 calc R U . . .
C37 C 0.5675(3) 0.6348(10) 0.6179(13) 0.053(3) Uani 0.8 1 d D . P B 1
H37A H 0.5842 0.6457 0.6001 0.063 Uiso 0.8 1 calc R U P B 1
H37B H 0.5922 0.5983 0.6638 0.063 Uiso 0.8 1 calc R U P B 1
C38 C 0.5579(6) 0.7243(7) 0.6357(9) 0.053(3) Uani 0.8 1 d D . P B 1
H38A H 0.5915 0.7564 0.6727 0.079 Uiso 0.8 1 calc R U P B 1
H38B H 0.5429 0.7136 0.6555 0.079 Uiso 0.8 1 calc R U P B 1
H38C H 0.5333 0.7603 0.5903 0.079 Uiso 0.8 1 calc R U P B 1
C37' C 0.5605(11) 0.650(3) 0.611(5) 0.053(3) Uani 0.2 1 d D . P B 2
H37C H 0.5830 0.6526 0.6019 0.063 Uiso 0.2 1 calc R U P B 2
H37D H 0.5830 0.6314 0.6634 0.063 Uiso 0.2 1 calc R U P B 2
C38' C 0.539(3) 0.7437(13) 0.600(4) 0.053(3) Uani 0.2 1 d D . P B 2
H38D H 0.5620 0.7889 0.6082 0.079 Uiso 0.2 1 calc R U P B 2
H38E H 0.5364 0.7532 0.6360 0.079 Uiso 0.2 1 calc R U P B 2
H38F H 0.5033 0.7491 0.5496 0.079 Uiso 0.2 1 calc R U P B 2
C39 C 0.7994(8) 0.3880(9) 0.9833(8) 0.063(4) Uani 0.75 1 d D . P A 1
H39A H 0.7641 0.3970 0.9322 0.076 Uiso 0.75 1 calc R U P A 1
H39B H 0.8215 0.3554 0.9797 0.076 Uiso 0.75 1 calc R U P A 1
C40 C 0.8243(8) 0.4791(9) 1.0192(10) 0.063(4) Uani 0.75 1 d D . P A 1
H40D H 0.8272 0.5131 0.9895 0.095 Uiso 0.75 1 calc R U P A 1
H40E H 0.8595 0.4705 1.0695 0.095 Uiso 0.75 1 calc R U P A 1
H40F H 0.8020 0.5122 1.0218 0.095 Uiso 0.75 1 calc R U P A 1
C39' C 0.7958(14) 0.4479(19) 1.013(3) 0.063(4) Uani 0.25 1 d D . P A 2
H39C H 0.7992 0.4753 1.0516 0.076 Uiso 0.25 1 calc R U P A 2
H39D H 0.7738 0.4882 0.9693 0.076 Uiso 0.25 1 calc R U P A 2
C40' C 0.8505(13) 0.439(3) 1.043(3) 0.063(4) Uani 0.25 1 d D . P A 2
H40A H 0.8681 0.4979 1.0609 0.095 Uiso 0.25 1 calc R U P A 2
H40B H 0.8469 0.4187 1.0031 0.095 Uiso 0.25 1 calc R U P A 2
H40C H 0.8715 0.3961 1.0838 0.095 Uiso 0.25 1 calc R U P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Rb Rb -0.9393 2.9676 '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
O13 Rb1 O3 123.9(2) . . ?
O13 Rb1 O13 76.3(2) . 5_666 ?
O3 Rb1 O13 96.9(2) . 5_666 ?
O13 Rb1 O4 141.8(2) . . ?
O3 Rb1 O4 52.5(2) . . ?
O13 Rb1 O4 138.6(2) 5_666 . ?
O13 Rb1 O6 73.8(2) . . ?
O3 Rb1 O6 90.8(2) . . ?
O13 Rb1 O6 148.1(2) 5_666 . ?
O4 Rb1 O6 68.4(2) . . ?
O13 Rb1 O8 57.0(2) . . ?
O3 Rb1 O8 70.4(2) . . ?
O13 Rb1 O8 100.2(2) 5_666 . ?
O4 Rb1 O8 94.46(19) . . ?
O6 Rb1 O8 53.51(19) . . ?
O14' Rb2 O12 80.8(8) . . ?
O14 Rb2 O12 124.4(3) 7_657 . ?
O14 Rb2 O14 77.2(3) 7_657 . ?
O12 Rb2 O14 95.3(3) . . ?
O14' Rb2 O9 149.6(8) . 2_656 ?
O14 Rb2 O9 75.3(3) 7_657 2_656 ?
O12 Rb2 O9 92.1(2) . 2_656 ?
O14 Rb2 O9 150.7(3) . 2_656 ?
O14' Rb2 O1 125.3(8) . 2_656 ?
O14 Rb2 O1 143.6(3) 7_657 2_656 ?
O12 Rb2 O1 53.4(2) . 2_656 ?
O14 Rb2 O1 136.5(3) . 2_656 ?
O9 Rb2 O1 68.8(2) 2_656 2_656 ?
O14' Rb2 O11 94.5(8) . . ?
O14 Rb2 O11 58.0(3) 7_657 . ?
O12 Rb2 O11 70.2(2) . . ?
O14 Rb2 O11 100.8(3) . . ?
O9 Rb2 O11 55.5(2) 2_656 . ?
O1 Rb2 O11 95.7(2) 2_656 . ?
O14' Rb2 O14' 81.2(9) . 7_657 ?
O12 Rb2 O14' 134.2(7) . 7_657 ?
O9 Rb2 O14' 83.1(5) 2_656 7_657 ?
O1 Rb2 O14' 151.6(5) 2_656 7_657 ?
O11 Rb2 O14' 69.8(7) . 7_657 ?
O6 Cu1 O8 91.5(3) . . ?
O6 Cu1 O7 172.8(3) . . ?
O8 Cu1 O7 95.5(3) . . ?
O6 Cu1 O7 96.5(3) . 2_656 ?
O8 Cu1 O7 168.8(3) . 2_656 ?
O7 Cu1 O7 76.3(3) . 2_656 ?
O11 Cu2 O9 93.6(3) 2_656 . ?
O11 Cu2 O10 168.4(3) 2_656 . ?
O9 Cu2 O10 94.4(3) . . ?
O11 Cu2 O10 93.3(3) 2_656 2_656 ?
O9 Cu2 O10 172.6(3) . 2_656 ?
O10 Cu2 O10 78.4(3) . 2_656 ?
O7 Si1 O1 110.0(4) . . ?
O7 Si1 O12 108.5(4) . 2_656 ?
O1 Si1 O12 107.5(4) . 2_656 ?
O7 Si1 C1 113.7(6) . . ?
O1 Si1 C1 108.9(6) . . ?
O12 Si1 C1 108.0(6) 2_656 . ?
O8 Si2 O2 113.8(4) . . ?
O8 Si2 O1 109.6(4) . . ?
O2 Si2 O1 107.5(4) . . ?
O8 Si2 C7 109.7(5) . . ?
O2 Si2 C7 109.4(5) . . ?
O1 Si2 C7 106.6(5) . . ?
O9 Si3 O3 109.7(4) . . ?
O9 Si3 O2 113.1(4) . . ?
O3 Si3 O2 106.3(4) . . ?
O9 Si3 C13 113.9(6) . . ?
O3 Si3 C13 106.4(6) . . ?
O2 Si3 C13 106.9(6) . . ?
O4 Si4 O10 110.4(4) . . ?
O4 Si4 O3 105.2(4) . . ?
O10 Si4 O3 110.2(4) . . ?
O4 Si4 C19 109.8(6) . . ?
O10 Si4 C19 112.9(6) . . ?
O3 Si4 C19 108.0(6) . . ?
O11 Si5 O5 113.0(4) . . ?
O11 Si5 O4 111.8(4) . . ?
O5 Si5 O4 106.2(4) . . ?
O11 Si5 C25 110.2(5) . . ?
O5 Si5 C25 109.3(6) . . ?
O4 Si5 C25 106.1(5) . . ?
O6 Si6 O5 113.0(5) . . ?
O6 Si6 O12 110.2(4) . . ?
O5 Si6 O12 106.9(4) . . ?
O6 Si6 C31 112.7(6) . . ?
O5 Si6 C31 106.8(6) . . ?
O12 Si6 C31 106.9(6) . . ?
Si1 O1 Si2 127.3(5) . . ?
Si1 O1 Rb2 95.9(3) . 2_656 ?
Si2 O1 Rb2 124.1(4) . 2_656 ?
Si2 O2 Si3 129.3(5) . . ?
Si3 O3 Si4 125.1(5) . . ?
Si3 O3 Rb1 124.2(4) . . ?
Si4 O3 Rb1 101.7(3) . . ?
Si4 O4 Si5 124.9(5) . . ?
Si4 O4 Rb1 97.4(4) . . ?
Si5 O4 Rb1 124.6(4) . . ?
Si6 O5 Si5 129.4(5) . . ?
Si6 O6 Cu1 133.7(4) . . ?
Si6 O6 Rb1 114.4(4) . . ?
Cu1 O6 Rb1 102.0(3) . . ?
Si1 O7 Cu1 124.8(4) . . ?
Si1 O7 Cu1 122.9(4) . 2_656 ?
Cu1 O7 Cu1 103.6(3) . 2_656 ?
Si2 O8 Cu1 133.0(4) . . ?
Si2 O8 Rb1 110.5(4) . . ?
Cu1 O8 Rb1 98.5(3) . . ?
Si3 O9 Cu2 135.7(5) . . ?
Si3 O9 Rb2 114.9(4) . 2_656 ?
Cu2 O9 Rb2 100.0(3) . 2_656 ?
Si4 O10 Cu2 123.5(5) . . ?
Si4 O10 Cu2 126.9(5) . 2_656 ?
Cu2 O10 Cu2 101.6(3) . 2_656 ?
Si5 O11 Cu2 133.5(5) . 2_656 ?
Si5 O11 Rb2 112.9(4) . . ?
Cu2 O11 Rb2 97.0(3) 2_656 . ?
Si1 O12 Si6 126.6(5) 2_656 . ?
Si1 O12 Rb2 100.0(3) 2_656 . ?
Si6 O12 Rb2 124.5(4) . . ?
C37 O13 Rb1 107.6(8) . . ?
C37' O13 Rb1 119(2) . . ?
C37 O13 Rb1 123.4(14) . 5_666 ?
C37' O13 Rb1 118(5) . 5_666 ?
Rb1 O13 Rb1 103.7(2) . 5_666 ?
C37 O13 H13 110.0 . . ?
C37' O13 H13 102.6 . . ?
Rb1 O13 H13 110.1 . . ?
Rb1 O13 H13 101.5 5_666 . ?
C39 O14 Rb2 110.1(8) . 7_657 ?
C39 O14 Rb2 120.9(11) . . ?
Rb2 O14 Rb2 102.8(3) 7_657 . ?
C39 O14 H14A 106.9 . . ?
Rb2 O14 H14A 108.7 7_657 . ?
Rb2 O14 H14A 107.0 . . ?
C39' O14' Rb2 119(2) . . ?
C39' O14' Rb2 136.6(18) . 7_657 ?
Rb2 O14' Rb2 98.8(8) . 7_657 ?
C39' O14' H14B 107.7 . . ?
Rb2 O14' H14B 108.0 . . ?
Rb2 O14' H14B 77.8 7_657 . ?
C6 C1 C2 117.8(14) . . ?
C6 C1 Si1 120.1(12) . . ?
C2 C1 Si1 121.7(12) . . ?
C3 C2 C1 120.4(15) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C4 C3 C2 119.4(15) . . ?
C4 C3 H3 120.3 . . ?
C2 C3 H3 120.3 . . ?
C3 C4 C5 122.5(15) . . ?
C3 C4 H4 118.7 . . ?
C5 C4 H4 118.7 . . ?
C4 C5 C6 116.0(15) . . ?
C4 C5 H5 122.0 . . ?
C6 C5 H5 122.0 . . ?
C1 C6 C5 123.7(16) . . ?
C1 C6 H6 118.1 . . ?
C5 C6 H6 118.1 . . ?
C8 C7 C12 117.3(12) . . ?
C8 C7 Si2 117.3(10) . . ?
C12 C7 Si2 125.4(11) . . ?
C7 C8 C9 121.9(13) . . ?
C7 C8 H8 119.0 . . ?
C9 C8 H8 119.0 . . ?
C10 C9 C8 120.8(14) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 118.7(13) . . ?
C9 C10 H10 120.7 . . ?
C11 C10 H10 120.7 . . ?
C10 C11 C12 120.6(12) . . ?
C10 C11 H11 119.7 . . ?
C12 C11 H11 119.7 . . ?
C7 C12 C11 120.7(13) . . ?
C7 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C18 C13 C14 114.5(14) . . ?
C18 C13 Si3 120.0(12) . . ?
C14 C13 Si3 125.4(12) . . ?
C13 C14 C15 121.6(15) . . ?
C13 C14 H14 119.2 . . ?
C15 C14 H14 119.2 . . ?
C16 C15 C14 121.3(15) . . ?
C16 C15 H15 119.3 . . ?
C14 C15 H15 119.3 . . ?
C17 C16 C15 117.3(14) . . ?
C17 C16 H16 121.3 . . ?
C15 C16 H16 121.3 . . ?
C16 C17 C18 122.3(16) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C13 C18 C17 122.9(15) . . ?
C13 C18 H18 118.6 . . ?
C17 C18 H18 118.6 . . ?
C20 C19 C24 117.7(14) . . ?
C20 C19 Si4 123.3(12) . . ?
C24 C19 Si4 118.6(12) . . ?
C19 C20 C21 121.7(16) . . ?
C19 C20 H20 119.2 . . ?
C21 C20 H20 119.2 . . ?
C22 C21 C20 119.4(16) . . ?
C22 C21 H21 120.3 . . ?
C20 C21 H21 120.3 . . ?
C21 C22 C23 122.0(15) . . ?
C21 C22 H22 119.0 . . ?
C23 C22 H22 119.0 . . ?
C22 C23 C24 119.1(15) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C19 C24 C23 120.0(15) . . ?
C19 C24 H24 120.0 . . ?
C23 C24 H24 120.0 . . ?
C30 C25 C26 116.6(12) . . ?
C30 C25 Si5 125.5(11) . . ?
C26 C25 Si5 117.9(10) . . ?
C25 C26 C27 123.4(13) . . ?
C25 C26 H26 118.3 . . ?
C27 C26 H26 118.3 . . ?
C28 C27 C26 117.9(14) . . ?
C28 C27 H27 121.0 . . ?
C26 C27 H27 121.0 . . ?
C27 C28 C29 121.2(13) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 H28 119.4 . . ?
C28 C29 C30 119.4(13) . . ?
C28 C29 H29 120.3 . . ?
C30 C29 H29 120.3 . . ?
C25 C30 C29 121.5(14) . . ?
C25 C30 H30 119.2 . . ?
C29 C30 H30 119.2 . . ?
C36 C31 C32 113.4(14) . . ?
C36 C31 Si6 120.3(11) . . ?
C32 C31 Si6 126.3(13) . . ?
C31 C32 C33 122.6(16) . . ?
C31 C32 H32 118.7 . . ?
C33 C32 H32 118.7 . . ?
C34 C33 C32 120.2(14) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 119.6(14) . . ?
C33 C34 H34 120.2 . . ?
C35 C34 H34 120.2 . . ?
C34 C35 C36 118.8(16) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
C31 C36 C35 124.9(14) . . ?
C31 C36 H36 117.6 . . ?
C35 C36 H36 117.6 . . ?
O13 C37 C38 111.9(3) . . ?
O13 C37 H37A 109.2 . . ?
C38 C37 H37A 109.2 . . ?
O13 C37 H37B 109.2 . . ?
C38 C37 H37B 109.2 . . ?
H37A C37 H37B 107.9 . . ?
C37 C38 H38A 109.5 . . ?
C37 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
C37 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
O13 C37' C38' 112.0(3) . . ?
O13 C37' H37C 109.2 . . ?
C38' C37' H37C 108.0 . . ?
O13 C37' H37D 109.2 . . ?
C38' C37' H37D 109.2 . . ?
H37C C37' H37D 107.9 . . ?
C37' C38' H38D 111.0 . . ?
C37' C38' H38E 109.5 . . ?
H38D C38' H38E 109.5 . . ?
C37' C38' H38F 109.5 . . ?
H38D C38' H38F 109.5 . . ?
H38E C38' H38F 108.0 . . ?
O14 C39 C40 112.0(3) . . ?
O14 C39 H39A 109.2 . . ?
C40 C39 H39A 109.2 . . ?
O14 C39 H39B 109.2 . . ?
C40 C39 H39B 109.2 . . ?
H39A C39 H39B 107.9 . . ?
C39 C40 H40D 109.5 . . ?
C39 C40 H40E 109.5 . . ?
H40D C40 H40E 109.5 . . ?
C39 C40 H40F 109.5 . . ?
H40D C40 H40F 109.5 . . ?
H40E C40 H40F 109.5 . . ?
O14' C39' C40' 112.0(3) . . ?
O14' C39' H39C 109.2 . . ?
C40' C39' H39C 109.2 . . ?
O14' C39' H39D 109.2 . . ?
C40' C39' H39D 109.2 . . ?
Rb2 C39' H39D 100.8 . . ?
H39C C39' H39D 107.9 . . ?
C39' C40' H40A 109.5 . . ?
C39' C40' H40B 109.5 . . ?
H40A C40' H40B 109.5 . . ?
C39' C40' H40C 109.5 . . ?
H40A C40' H40C 109.5 . . ?
H40B C40' H40C 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
Rb1 O13 2.844(8) . ?
Rb1 O3 2.858(7) . ?
Rb1 O13 2.861(8) 5_666 ?
Rb1 O4 2.988(8) . ?
Rb1 O6 2.991(8) . ?
Rb1 O8 3.088(7) . ?
Rb2 O14' 2.60(3) . ?
Rb2 O14 2.734(11) 7_657 ?
Rb2 O12 2.872(8) . ?
Rb2 O14 2.920(12) . ?
Rb2 O9 2.939(8) 2_656 ?
Rb2 O1 2.985(8) 2_656 ?
Rb2 O11 3.040(9) . ?
Rb2 O14' 3.20(3) 7_657 ?
Cu1 O6 1.905(7) . ?
Cu1 O8 1.918(7) . ?
Cu1 O7 1.970(7) . ?
Cu1 O7 1.980(7) 2_656 ?
Cu2 O11 1.905(8) 2_656 ?
Cu2 O9 1.918(7) . ?
Cu2 O10 1.958(8) . ?
Cu2 O10 1.974(8) 2_656 ?
Cu2 Cu2 3.046(3) 2_656 ?
Si1 O7 1.606(8) . ?
Si1 O1 1.628(8) . ?
Si1 O12 1.639(8) 2_656 ?
Si1 C1 1.847(15) . ?
Si2 O8 1.582(8) . ?
Si2 O2 1.624(8) . ?
Si2 O1 1.655(8) . ?
Si2 C7 1.878(13) . ?
Si3 O9 1.608(8) . ?
Si3 O3 1.633(8) . ?
Si3 O2 1.648(8) . ?
Si3 C13 1.856(15) . ?
Si4 O4 1.616(9) . ?
Si4 O10 1.625(8) . ?
Si4 O3 1.644(8) . ?
Si4 C19 1.848(15) . ?
Si5 O11 1.608(8) . ?
Si5 O5 1.639(9) . ?
Si5 O4 1.640(9) . ?
Si5 C25 1.865(13) . ?
Si6 O6 1.577(7) . ?
Si6 O5 1.634(8) . ?
Si6 O12 1.668(8) . ?
Si6 C31 1.847(15) . ?
O13 C37 1.429(3) . ?
O13 C37' 1.430(3) . ?
O13 H13 0.909 . ?
O14 C39 1.431(3) . ?
O14 H14A 0.9001 . ?
O14' C39' 1.429(3) . ?
O14' H14B 0.900 . ?
C1 C6 1.37(2) . ?
C1 C2 1.41(2) . ?
C2 C3 1.401(19) . ?
C2 H2 0.9500 . ?
C3 C4 1.37(2) . ?
C3 H3 0.9500 . ?
C4 C5 1.40(2) . ?
C4 H4 0.9500 . ?
C5 C6 1.409(19) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.353(19) . ?
C7 C12 1.393(18) . ?
C8 C9 1.429(17) . ?
C8 H8 0.9500 . ?
C9 C10 1.333(17) . ?
C9 H9 0.9500 . ?
C10 C11 1.391(19) . ?
C10 H10 0.9500 . ?
C11 C12 1.407(17) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.37(2) . ?
C13 C14 1.38(2) . ?
C14 C15 1.409(19) . ?
C14 H14 0.9500 . ?
C15 C16 1.34(2) . ?
C15 H15 0.9500 . ?
C16 C17 1.33(2) . ?
C16 H16 0.9500 . ?
C17 C18 1.376(19) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.39(2) . ?
C19 C24 1.41(2) . ?
C20 C21 1.40(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.34(2) . ?
C21 H21 0.9500 . ?
C22 C23 1.38(2) . ?
C22 H22 0.9500 . ?
C23 C24 1.42(2) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.361(18) . ?
C25 C26 1.39(2) . ?
C26 C27 1.400(18) . ?
C26 H26 0.9500 . ?
C27 C28 1.360(18) . ?
C27 H27 0.9500 . ?
C28 C29 1.370(19) . ?
C28 H28 0.9500 . ?
C29 C30 1.418(17) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.37(2) . ?
C31 C32 1.366(19) . ?
C32 C33 1.423(19) . ?
C32 H32 0.9500 . ?
C33 C34 1.34(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.335(18) . ?
C34 H34 0.9500 . ?
C35 C36 1.408(19) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.525(3) . ?
C37 H37A 0.9900 . ?
C37 H37B 0.9900 . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C37' C38' 1.525(3) . ?
C37' H37C 0.9900 . ?
C37' H37D 0.9900 . ?
C38' H38D 0.9800 . ?
C38' H38E 1.0000 . ?
C38' H38F 0.9800 . ?
C39 C40 1.524(3) . ?
C39 H39A 0.9900 . ?
C39 H39B 0.9900 . ?
C40 H40D 0.9800 . ?
C40 H40E 0.9800 . ?
C40 H40F 0.9800 . ?
C39' C40' 1.525(3) . ?
C39' H39C 0.9900 . ?
C39' H39D 0.9900 . ?
C40' H40A 0.9800 . ?
C40' H40B 0.9800 . ?
C40' H40C 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 -40.3(8) . . . . ?
O12 Si1 O1 Si2 -158.2(6) 2_656 . . . ?
C1 Si1 O1 Si2 85.0(8) . . . . ?
O7 Si1 O1 Rb2 101.7(4) . . . 2_656 ?
O12 Si1 O1 Rb2 -16.3(4) 2_656 . . 2_656 ?
C1 Si1 O1 Rb2 -133.0(6) . . . 2_656 ?
O8 Si2 O1 Si1 5.8(8) . . . . ?
O2 Si2 O1 Si1 129.9(6) . . . . ?
C7 Si2 O1 Si1 -112.9(7) . . . . ?
O8 Si2 O1 Rb2 -126.5(4) . . . 2_656 ?
O2 Si2 O1 Rb2 -2.4(6) . . . 2_656 ?
C7 Si2 O1 Rb2 114.8(6) . . . 2_656 ?
O8 Si2 O2 Si3 53.5(8) . . . . ?
O1 Si2 O2 Si3 -68.1(7) . . . . ?
C7 Si2 O2 Si3 176.6(7) . . . . ?
O9 Si3 O2 Si2 47.1(8) . . . . ?
O3 Si3 O2 Si2 -73.3(7) . . . . ?
C13 Si3 O2 Si2 173.2(8) . . . . ?
O9 Si3 O3 Si4 12.7(7) . . . . ?
O2 Si3 O3 Si4 135.4(6) . . . . ?
C13 Si3 O3 Si4 -110.9(7) . . . . ?
O9 Si3 O3 Rb1 -128.3(4) . . . . ?
O2 Si3 O3 Rb1 -5.7(6) . . . . ?
C13 Si3 O3 Rb1 108.1(6) . . . . ?
O4 Si4 O3 Si3 -164.9(6) . . . . ?
O10 Si4 O3 Si3 -45.9(7) . . . . ?
C19 Si4 O3 Si3 77.9(8) . . . . ?
O4 Si4 O3 Rb1 -17.0(4) . . . . ?
O10 Si4 O3 Rb1 102.0(4) . . . . ?
C19 Si4 O3 Rb1 -134.2(6) . . . . ?
O10 Si4 O4 Si5 39.2(7) . . . . ?
O3 Si4 O4 Si5 158.1(5) . . . . ?
C19 Si4 O4 Si5 -85.9(8) . . . . ?
O10 Si4 O4 Rb1 -102.9(4) . . . . ?
O3 Si4 O4 Rb1 16.0(4) . . . . ?
C19 Si4 O4 Rb1 132.0(6) . . . . ?
O11 Si5 O4 Si4 -6.3(7) . . . . ?
O5 Si5 O4 Si4 -130.0(6) . . . . ?
C25 Si5 O4 Si4 113.8(7) . . . . ?
O11 Si5 O4 Rb1 126.0(4) . . . . ?
O5 Si5 O4 Rb1 2.3(5) . . . . ?
C25 Si5 O4 Rb1 -113.9(6) . . . . ?
O6 Si6 O5 Si5 -50.0(8) . . . . ?
O12 Si6 O5 Si5 71.3(7) . . . . ?
C31 Si6 O5 Si5 -174.4(8) . . . . ?
O11 Si5 O5 Si6 -51.8(8) . . . . ?
O4 Si5 O5 Si6 71.1(7) . . . . ?
C25 Si5 O5 Si6 -174.9(7) . . . . ?
O5 Si6 O6 Cu1 100.2(7) . . . . ?
O12 Si6 O6 Cu1 -19.4(8) . . . . ?
C31 Si6 O6 Cu1 -138.7(8) . . . . ?
O5 Si6 O6 Rb1 -38.5(5) . . . . ?
O12 Si6 O6 Rb1 -158.0(4) . . . . ?
C31 Si6 O6 Rb1 82.7(7) . . . . ?
O1 Si1 O7 Cu1 47.5(6) . . . . ?
O12 Si1 O7 Cu1 164.9(5) 2_656 . . . ?
C1 Si1 O7 Cu1 -74.9(7) . . . . ?
O1 Si1 O7 Cu1 -170.2(5) . . . 2_656 ?
O12 Si1 O7 Cu1 -52.9(6) 2_656 . . 2_656 ?
C1 Si1 O7 Cu1 67.3(7) . . . 2_656 ?
O2 Si2 O8 Cu1 -91.5(7) . . . . ?
O1 Si2 O8 Cu1 28.9(8) . . . . ?
C7 Si2 O8 Cu1 145.6(6) . . . . ?
O2 Si2 O8 Rb1 32.8(5) . . . . ?
O1 Si2 O8 Rb1 153.2(4) . . . . ?
C7 Si2 O8 Rb1 -90.2(5) . . . . ?
O3 Si3 O9 Cu2 19.8(8) . . . . ?
O2 Si3 O9 Cu2 -98.7(7) . . . . ?
C13 Si3 O9 Cu2 139.0(8) . . . . ?
O3 Si3 O9 Rb2 158.5(4) . . . 2_656 ?
O2 Si3 O9 Rb2 39.9(5) . . . 2_656 ?
C13 Si3 O9 Rb2 -82.4(7) . . . 2_656 ?
O4 Si4 O10 Cu2 169.0(5) . . . . ?
O3 Si4 O10 Cu2 53.3(6) . . . . ?
C19 Si4 O10 Cu2 -67.6(8) . . . . ?
O4 Si4 O10 Cu2 -48.0(7) . . . 2_656 ?
O3 Si4 O10 Cu2 -163.8(5) . . . 2_656 ?
C19 Si4 O10 Cu2 75.4(9) . . . 2_656 ?
O5 Si5 O11 Cu2 91.8(7) . . . 2_656 ?
O4 Si5 O11 Cu2 -27.9(8) . . . 2_656 ?
C25 Si5 O11 Cu2 -145.6(7) . . . 2_656 ?
O5 Si5 O11 Rb2 -33.9(5) . . . . ?
O4 Si5 O11 Rb2 -153.7(4) . . . . ?
C25 Si5 O11 Rb2 88.6(6) . . . . ?
O6 Si6 O12 Si1 -12.5(8) . . . 2_656 ?
O5 Si6 O12 Si1 -135.7(6) . . . 2_656 ?
C31 Si6 O12 Si1 110.2(8) . . . 2_656 ?
O6 Si6 O12 Rb2 127.9(4) . . . . ?
O5 Si6 O12 Rb2 4.8(6) . . . . ?
C31 Si6 O12 Rb2 -109.3(7) . . . . ?
O7 Si1 C1 C6 163.8(11) . . . . ?
O1 Si1 C1 C6 40.8(14) . . . . ?
O12 Si1 C1 C6 -75.6(13) 2_656 . . . ?
O7 Si1 C1 C2 -23.5(15) . . . . ?
O1 Si1 C1 C2 -146.5(12) . . . . ?
O12 Si1 C1 C2 97.1(13) 2_656 . . . ?
Si1 C1 C2 C3 -170.1(11) . . . . ?
Si1 C1 C6 C5 170.7(12) . . . . ?
O8 Si2 C7 C8 -41.8(11) . . . . ?
O2 Si2 C7 C8 -167.3(9) . . . . ?
O1 Si2 C7 C8 76.8(11) . . . . ?
O8 Si2 C7 C12 140.5(10) . . . . ?
O2 Si2 C7 C12 15.0(12) . . . . ?
O1 Si2 C7 C12 -100.9(11) . . . . ?
C12 C7 C8 C9 -0.8(18) . . . . ?
Si2 C7 C8 C9 -178.7(9) . . . . ?
C7 C8 C9 C10 0.6(19) . . . . ?
C8 C9 C10 C11 -0.3(18) . . . . ?
C9 C10 C11 C12 0.2(18) . . . . ?
C8 C7 C12 C11 0.8(18) . . . . ?
Si2 C7 C12 C11 178.4(9) . . . . ?
C10 C11 C12 C7 -0.5(18) . . . . ?
O9 Si3 C13 C18 -64.0(16) . . . . ?
O3 Si3 C13 C18 57.0(16) . . . . ?
O2 Si3 C13 C18 170.4(14) . . . . ?
O9 Si3 C13 C14 117.3(15) . . . . ?
O3 Si3 C13 C14 -121.7(15) . . . . ?
O2 Si3 C13 C14 -8.4(17) . . . . ?
Si3 C13 C18 C17 -177.1(14) . . . . ?
O4 Si4 C19 C20 147.0(15) . . . . ?
O10 Si4 C19 C20 23.3(18) . . . . ?
O3 Si4 C19 C20 -98.8(16) . . . . ?
O4 Si4 C19 C24 -40.2(16) . . . . ?
O10 Si4 C19 C24 -163.9(13) . . . . ?
O3 Si4 C19 C24 74.0(15) . . . . ?
Si4 C19 C20 C21 171.8(14) . . . . ?
Si4 C19 C24 C23 -173.0(13) . . . . ?
O11 Si5 C25 C30 -137.6(12) . . . . ?
O5 Si5 C25 C30 -12.9(14) . . . . ?
O4 Si5 C25 C30 101.2(13) . . . . ?
O11 Si5 C25 C26 44.1(13) . . . . ?
O5 Si5 C25 C26 168.8(10) . . . . ?
O4 Si5 C25 C26 -77.1(12) . . . . ?
Si5 C25 C26 C27 178.3(11) . . . . ?
Si5 C25 C30 C29 -178.9(10) . . . . ?
O6 Si6 C31 C36 61.3(16) . . . . ?
O5 Si6 C31 C36 -174.1(14) . . . . ?
O12 Si6 C31 C36 -59.9(16) . . . . ?
O6 Si6 C31 C32 -121.5(15) . . . . ?
O5 Si6 C31 C32 3.1(18) . . . . ?
O12 Si6 C31 C32 117.3(16) . . . . ?
Si6 C31 C32 C33 178.9(13) . . . . ?
Si6 C31 C36 C35 175.0(14) . . . . ?
Rb2 O14 C39 C40 -149.6(14) 7_657 . . . ?
Rb2 O14 C39 C40 90.8(17) . . . . ?
Rb2 O14 C39 Rb2 -119.6(9) . . . 7_657 ?
