#------------------------------------------------------------------------------
#$Date: 2024-12-06 22:06:27 +0200 (Fri, 06 Dec 2024) $
#$Revision: 296620 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/57/24/1572448.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_1572448
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         'C92 H108 Cu4 Na4 O32 Si12'
_chemical_formula_sum            'C92 H108 Cu4 Na4 O32 Si12'
_chemical_formula_weight         2409.03
_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                 132.083(16)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   39.983(4)
_cell_length_b                   12.6858(4)
_cell_length_c                   28.308(3)
_cell_measurement_reflns_used    10388
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      76.823
_cell_measurement_theta_min      2.937
_cell_volume                     10656(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.117a (Rigaku OD, 2021)'
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix'
_diffrn_measurement_method       'φ and ω'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0919
_diffrn_reflns_av_unetI/netI     0.0678
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       48
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            66088
_diffrn_reflns_point_group_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         69.998
_diffrn_reflns_theta_min         4.867
_diffrn_source                   'micro-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    3.009
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.767
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.117a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_description       prism
_exptl_crystal_F_000             4976
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.630
_refine_diff_density_min         -1.264
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     595
_refine_ls_number_reflns         10030
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.032
_refine_ls_R_factor_all          0.1523
_refine_ls_R_factor_gt           0.1205
_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)+450P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2508
_refine_ls_wR_factor_ref         0.2734
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7370
_reflns_number_total             10030
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4nr02173h2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 1572445--1572463.cif.'
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1572448
_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   0.508
_shelx_estimated_absorpt_t_max   0.661
_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
Cu1 Cu 0.49697(4) 0.22807(10) 0.69365(6) 0.0329(3) Uani 1 1 d . . . . .
Cu2 Cu 0.44930(4) 0.53972(11) 0.70489(6) 0.0327(3) Uani 1 1 d . . . . .
Si1 Si 0.40537(8) 0.20286(19) 0.66483(11) 0.0317(5) Uani 1 1 d . . . . .
Si2 Si 0.39755(8) 0.2653(2) 0.55774(11) 0.0335(5) Uani 1 1 d . . . . .
Si3 Si 0.40201(8) 0.5066(2) 0.55883(11) 0.0338(5) Uani 1 1 d . . . . .
Si4 Si 0.49671(8) 0.58260(19) 0.64770(11) 0.0310(5) Uani 1 1 d . . . . .
Si5 Si 0.59030(8) 0.50518(19) 0.72735(11) 0.0333(5) Uani 1 1 d . . . . .
Si6 Si 0.59230(8) 0.26471(19) 0.73249(11) 0.0334(5) Uani 1 1 d . . . . .
Na1 Na 0.49199(14) 0.2502(4) 0.57933(19) 0.0578(12) Uani 1 1 d . . . . .
Na2 Na 0.35342(15) 0.4285(4) 0.6164(2) 0.0541(11) Uani 1 1 d . . . . .
O1 O 0.3800(2) 0.2586(5) 0.5966(3) 0.0369(14) Uani 1 1 d . . . . .
O2 O 0.3899(2) 0.3860(5) 0.5323(3) 0.0397(15) Uani 1 1 d . . . . .
O3 O 0.4512(2) 0.5314(5) 0.5811(3) 0.0366(14) Uani 1 1 d . . . . .
O4 O 0.5396(2) 0.5348(5) 0.6603(3) 0.0371(14) Uani 1 1 d . . . . .
O5 O 0.5997(2) 0.3832(5) 0.7210(3) 0.0417(15) Uani 1 1 d . . . . .
O6 O 0.3846(2) 0.2580(5) 0.6923(3) 0.0369(14) Uani 1 1 d . . . . .
O7 O 0.4583(2) 0.2262(5) 0.7129(3) 0.0355(14) Uani 1 1 d . . . . .
O8 O 0.4477(2) 0.2269(6) 0.6022(3) 0.0404(15) Uani 1 1 d . . . . .
O9 O 0.4027(2) 0.5263(6) 0.6155(3) 0.0410(15) Uani 1 1 d . . . . .
O10 O 0.49806(19) 0.5515(5) 0.7040(3) 0.0307(13) Uani 1 1 d . . . . .
O11 O 0.5942(2) 0.5245(5) 0.7862(3) 0.0380(15) Uani 1 1 d . . . . .
O12 O 0.5409(2) 0.2297(5) 0.6859(3) 0.0382(14) Uani 1 1 d . . . . .
C1 C 0.3944(3) 0.0593(7) 0.6555(4) 0.037(2) Uani 1 1 d . . . . .
C2 C 0.3587(3) 0.0121(8) 0.5966(5) 0.042(2) Uani 1 1 d . . . . .
H2 H 0.3393 0.0551 0.5597 0.050 Uiso 1 1 calc R U . . .
C3 C 0.3514(4) -0.0954(8) 0.5913(5) 0.050(3) Uani 1 1 d . . . . .
H3 H 0.3272 -0.1251 0.5509 0.060 Uiso 1 1 calc R U . . .
C4 C 0.3789(4) -0.1611(9) 0.6446(5) 0.051(3) Uani 1 1 d . . . . .
H4 H 0.3734 -0.2347 0.6414 0.061 Uiso 1 1 calc R U . . .
C5 C 0.4148(4) -0.1144(8) 0.7029(5) 0.050(3) Uani 1 1 d . . . . .
H5 H 0.4347 -0.1576 0.7395 0.060 Uiso 1 1 calc R U . . .
C6 C 0.4217(4) -0.0098(8) 0.7080(5) 0.044(2) Uani 1 1 d . . . . .
H6 H 0.4459 0.0189 0.7487 0.053 Uiso 1 1 calc R U . . .
C7 C 0.3593(4) 0.1867(8) 0.4843(5) 0.049(3) Uani 1 1 d . . . . .
C8 C 0.3168(4) 0.2366(13) 0.4296(5) 0.068(4) Uani 1 1 d . . . . .
H8 H 0.3106 0.3072 0.4327 0.082 Uiso 1 1 calc R U . . .
C9 C 0.2860(5) 0.1813(17) 0.3738(7) 0.098(6) Uani 1 1 d . . . . .
H9 H 0.2596 0.2165 0.3383 0.117 Uiso 1 1 calc R U . . .
C10 C 0.2917(5) 0.0815(18) 0.3679(8) 0.101(7) Uani 1 1 d . . . . .
H10 H 0.2682 0.0437 0.3305 0.122 Uiso 1 1 calc R U . . .
C11 C 0.3315(6) 0.0325(11) 0.4155(7) 0.077(4) Uani 1 1 d . . . . .
H11 H 0.3374 -0.0368 0.4099 0.092 Uiso 1 1 calc R U . . .
C12 C 0.3638(5) 0.0877(10) 0.4737(6) 0.063(3) Uani 1 1 d . . . . .
H12 H 0.3906 0.0512 0.5076 0.075 Uiso 1 1 calc R U . . .
C13 C 0.3607(3) 0.5921(8) 0.4887(4) 0.040(2) Uani 1 1 d . . . . .
C14 C 0.3535(4) 0.6933(10) 0.4991(5) 0.065(4) Uani 1 1 d . . . . .
H14 H 0.3681 0.7154 0.5411 0.078 Uiso 1 1 calc R U . . .
C15 C 0.3247(4) 0.7629(11) 0.4480(6) 0.073(4) Uani 1 1 d . . . . .
H15 H 0.3206 0.8324 0.4557 0.088 Uiso 1 1 calc R U . . .
C16 C 0.3033(4) 0.7324(10) 0.3891(6) 0.064(3) Uani 1 1 d . . . . .
H16 H 0.2830 0.7798 0.3549 0.077 Uiso 1 1 calc R U . . .
C17 C 0.3095(4) 0.6363(10) 0.3766(5) 0.064(3) Uani 1 1 d . . . . .
H17 H 0.2946 0.6165 0.3342 0.077 Uiso 1 1 calc R U . . .
C18 C 0.3385(4) 0.5646(8) 0.4270(5) 0.050(3) Uani 1 1 d . . . . .
H18 H 0.3427 0.4962 0.4180 0.060 Uiso 1 1 calc R U . . .
C19 C 0.4955(3) 0.7265(8) 0.6374(4) 0.039(2) Uani 1 1 d . . . . .
C20 C 0.5197(3) 0.7761(8) 0.6245(5) 0.043(2) Uani 1 1 d . . . . .
H20 H 0.5381 0.7341 0.6217 0.051 Uiso 1 1 calc R U . . .
C21 C 0.5182(4) 0.8837(9) 0.6155(5) 0.052(3) Uani 1 1 d . . . . .
H21 H 0.5351 0.9145 0.6065 0.062 Uiso 1 1 calc R U . . .
C22 C 0.4922(4) 0.9456(8) 0.6197(5) 0.048(3) Uani 1 1 d . . . . .
H22 H 0.4906 1.0195 0.6129 0.057 Uiso 1 1 calc R U . . .
C23 C 0.4680(4) 0.8998(10) 0.6339(5) 0.053(3) Uani 1 1 d . . . . .
H23 H 0.4503 0.9426 0.6375 0.063 Uiso 1 1 calc R U . . .
C24 C 0.4700(4) 0.7915(8) 0.6428(5) 0.045(2) Uani 1 1 d . . . . .
H24 H 0.4536 0.7610 0.6527 0.054 Uiso 1 1 calc R U . . .
C25 C 0.6327(3) 0.5830(7) 0.7329(4) 0.036(2) Uani 1 1 d . . . . .
C26 C 0.6536(4) 0.5416(8) 0.7124(5) 0.047(2) Uani 1 1 d . . . . .
H26 H 0.6463 0.4723 0.6953 0.057 Uiso 1 1 calc R U . . .
C27 C 0.6848(4) 0.6004(9) 0.7167(6) 0.054(3) Uani 1 1 d . . . . .
H27 H 0.6991 0.5702 0.7034 0.064 Uiso 1 1 calc R U . . .
C28 C 0.6951(4) 0.7006(10) 0.7396(5) 0.057(3) Uani 1 1 d . . . . .
H28 H 0.7160 0.7409 0.7413 0.069 Uiso 1 1 calc R U . . .
C29 C 0.6753(4) 0.7436(9) 0.7604(5) 0.053(3) Uani 1 1 d . . . . .
H29 H 0.6829 0.8132 0.7772 0.063 Uiso 1 1 calc R U . . .
C30 C 0.6440(4) 0.6855(8) 0.7570(5) 0.046(2) Uani 1 1 d . . . . .
H30 H 0.6304 0.7159 0.7713 0.056 Uiso 1 1 calc R U . . .
C31 C 0.6254(3) 0.1773(8) 0.7238(4) 0.041(2) Uani 1 1 d . . . . .
C32 C 0.6134(4) 0.0736(9) 0.7069(5) 0.054(3) Uani 1 1 d . . . . .
H32 H 0.5872 0.0484 0.6975 0.065 Uiso 1 1 calc R U . . .
C33 C 0.6385(5) 0.0042(12) 0.7032(6) 0.076(4) Uani 1 1 d . . . . .
H33 H 0.6285 -0.0664 0.6897 0.091 Uiso 1 1 calc R U . . .
C34 C 0.6768(5) 0.0366(13) 0.7188(7) 0.075(4) Uani 1 1 d . . . . .
H34 H 0.6948 -0.0116 0.7185 0.090 Uiso 1 1 calc R U . . .
C35 C 0.6892(5) 0.1373(13) 0.7345(7) 0.074(4) Uani 1 1 d . . . . .
H35 H 0.7158 0.1610 0.7444 0.088 Uiso 1 1 calc R U . . .
C36 C 0.6631(4) 0.2097(11) 0.7367(6) 0.060(3) Uani 1 1 d . . . . .
H36 H 0.6722 0.2814 0.7473 0.073 Uiso 1 1 calc R U . . .
O13 O 0.5240(3) 0.1616(8) 0.5488(4) 0.091(2) Uani 1 1 d D . . . .
C37 C 0.5535(2) 0.1871(7) 0.5487(3) 0.091(2) Uani 1 1 d D . . . .
C38 C 0.5789(4) 0.1064(10) 0.5449(6) 0.091(2) Uani 1 1 d D . . . .
H38A H 0.5609 0.0417 0.5257 0.137 Uiso 1 1 calc R U . . .
H38B H 0.6075 0.0909 0.5878 0.137 Uiso 1 1 calc R U . . .
H38C H 0.5848 0.1336 0.5187 0.137 Uiso 1 1 calc R U . . .
C39 C 0.5658(4) 0.3001(8) 0.5525(6) 0.091(2) Uani 1 1 d D . . . .
H39A H 0.5474 0.3450 0.5557 0.137 Uiso 1 1 calc R U . . .
H39B H 0.5602 0.3189 0.5142 0.137 Uiso 1 1 calc R U . . .
H39C H 0.5977 0.3106 0.5901 0.137 Uiso 1 1 calc R U . . .
O14 O 0.4707(3) 0.3995(6) 0.5199(3) 0.0651(16) Uani 1 1 d D . . . .
H14O H 0.4616 0.4428 0.5346 0.098 Uiso 1 1 d R U . . .
C40 C 0.4375(4) 0.3981(7) 0.4519(3) 0.0651(16) Uani 1 1 d D . . . .
H40A H 0.4514 0.4205 0.4348 0.078 Uiso 1 1 calc R U . . .
H40B H 0.4130 0.4482 0.4364 0.078 Uiso 1 1 calc R U . . .
C41 C 0.4182(4) 0.2873(8) 0.4284(4) 0.0651(16) Uani 1 1 d D . . . .
H41A H 0.4011 0.2827 0.3826 0.098 Uiso 1 1 calc R U . . .
H41B H 0.3983 0.2721 0.4363 0.098 Uiso 1 1 calc R U . . .
H41C H 0.4429 0.2360 0.4511 0.098 Uiso 1 1 calc R U . . .
O15 O 0.2903(3) 0.4234(12) 0.5038(4) 0.140(4) Uani 1 1 d D . . . .
C42 C 0.2550(2) 0.4187(10) 0.4481(4) 0.140(4) Uani 1 1 d D . . . .
C43 C 0.2373(5) 0.5114(12) 0.4045(6) 0.140(4) Uani 1 1 d D . . . .
H43A H 0.2528 0.5754 0.4297 0.210 Uiso 1 1 calc R U . . .
H43B H 0.2049 0.5186 0.3795 0.210 Uiso 1 1 calc R U . . .
H43C H 0.2427 0.5009 0.3757 0.210 Uiso 1 1 calc R U . . .
C44 C 0.2275(4) 0.3198(11) 0.4206(7) 0.140(4) Uani 1 1 d D . . . .
H44A H 0.2473 0.2594 0.4337 0.210 Uiso 1 1 calc R U . . .
H44B H 0.2052 0.3248 0.3741 0.210 Uiso 1 1 calc R U . . .
H44C H 0.2120 0.3106 0.4362 0.210 Uiso 1 1 calc R U . . .
O16 O 0.2950(4) 0.4580(11) 0.6164(6) 0.137(4) Uani 1 1 d D . . . .
H16O H 0.3086 0.4612 0.6576 0.206 Uiso 1 1 d R U . . .
C45 C 0.2646(5) 0.5455(14) 0.5876(10) 0.137(4) Uani 1 1 d D . . . .
H45A H 0.2620 0.5746 0.6175 0.165 Uiso 1 1 calc R U . . .
H45B H 0.2343 0.5218 0.5487 0.165 Uiso 1 1 calc R U . . .
C46 C 0.2817(6) 0.6307(12) 0.5702(10) 0.137(4) Uani 1 1 d D . . . .
H46A H 0.2641 0.6952 0.5580 0.206 Uiso 1 1 calc R U . . .
H46B H 0.2785 0.6065 0.5345 0.206 Uiso 1 1 calc R U . . .
H46C H 0.3135 0.6452 0.6070 0.206 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.1353 0.1239 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 '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
O12 Cu1 O8 92.1(3) . . ?
O12 Cu1 O7 172.9(3) . . ?
O8 Cu1 O7 95.0(3) . . ?
O12 Cu1 O7 94.4(3) . 2_656 ?
O8 Cu1 O7 173.4(3) . 2_656 ?
O7 Cu1 O7 78.5(3) . 2_656 ?
O9 Cu2 O11 90.0(3) . 2_656 ?
O9 Cu2 O10 173.9(3) . 2_656 ?
O11 Cu2 O10 95.9(2) 2_656 2_656 ?
O9 Cu2 O10 94.9(3) . . ?
O11 Cu2 O10 174.8(3) 2_656 . ?
O10 Cu2 O10 79.2(3) 2_656 . ?
O7 Si1 O1 110.3(3) . . ?
O7 Si1 O6 108.8(3) . . ?
O1 Si1 O6 105.6(3) . . ?
O7 Si1 C1 110.8(4) . . ?
O1 Si1 C1 111.1(4) . . ?
O6 Si1 C1 110.0(4) . . ?
O8 Si2 O2 114.0(4) . . ?
O8 Si2 O1 109.5(3) . . ?
O2 Si2 O1 107.6(4) . . ?
O8 Si2 C7 112.6(5) . . ?
O2 Si2 C7 104.0(4) . . ?
O1 Si2 C7 108.8(4) . . ?
O9 Si3 O2 114.0(4) . . ?
O9 Si3 O3 111.8(3) . . ?
O2 Si3 O3 105.5(3) . . ?
O9 Si3 C13 112.6(4) . . ?
O2 Si3 C13 106.2(4) . . ?
O3 Si3 C13 106.0(4) . . ?
O10 Si4 O4 111.4(3) . . ?
O10 Si4 O3 108.5(3) . . ?
O4 Si4 O3 107.5(3) . . ?
O10 Si4 C19 112.3(4) . . ?
O4 Si4 C19 108.5(4) . . ?
O3 Si4 C19 108.6(4) . . ?
O11 Si5 O5 113.3(4) . . ?
O11 Si5 O4 110.9(3) . . ?
O5 Si5 O4 106.7(4) . . ?
O11 Si5 C25 112.6(4) . . ?
O5 Si5 C25 104.3(4) . . ?
O4 Si5 C25 108.7(4) . . ?
O12 Si6 O5 113.9(4) . . ?
O12 Si6 O6 110.4(3) . 2_656 ?
O5 Si6 O6 106.7(4) . 2_656 ?
O12 Si6 C31 111.2(4) . . ?
O5 Si6 C31 106.6(4) . . ?
O6 Si6 C31 107.7(4) 2_656 . ?
O12 Na1 O13 104.3(3) . . ?
O12 Na1 O8 75.4(3) . . ?
O13 Na1 O8 142.2(4) . . ?
O12 Na1 O14 129.9(3) . . ?
O13 Na1 O14 99.1(4) . . ?
O8 Na1 O14 109.9(3) . . ?
O9 Na2 O16 138.9(4) . . ?
O9 Na2 O11 69.5(2) . 2_656 ?
O16 Na2 O11 91.2(4) . 2_656 ?
O9 Na2 O15 98.2(4) . . ?
O16 Na2 O15 81.1(5) . . ?
O11 Na2 O15 150.9(4) 2_656 . ?
O9 Na2 O1 88.2(3) . . ?
O16 Na2 O1 132.2(4) . . ?
O11 Na2 O1 119.8(3) 2_656 . ?
O15 Na2 O1 84.8(4) . . ?
O9 Na2 O6 119.4(3) . . ?
O16 Na2 O6 93.2(4) . . ?
O11 Na2 O6 84.8(2) 2_656 . ?
O15 Na2 O6 123.4(4) . . ?
O1 Na2 O6 58.3(2) . . ?
Si1 O1 Si2 127.5(4) . . ?
Si1 O1 Na2 97.1(3) . . ?
Si2 O1 Na2 120.8(3) . . ?
Si2 O2 Si3 140.3(4) . . ?
Si4 O3 Si3 129.6(4) . . ?
Si4 O4 Si5 130.1(4) . . ?
Si6 O5 Si5 141.1(4) . . ?
Si1 O6 Si6 127.6(4) . 2_656 ?
Si1 O6 Na2 94.3(3) . . ?
Si6 O6 Na2 122.9(3) 2_656 . ?
Si1 O7 Cu1 127.4(3) . . ?
Si1 O7 Cu1 129.8(4) . 2_656 ?
Cu1 O7 Cu1 101.4(3) . 2_656 ?
Si2 O8 Cu1 132.7(4) . . ?
Si2 O8 Na1 123.5(4) . . ?
Cu1 O8 Na1 95.2(3) . . ?
Si3 O9 Cu2 133.8(4) . . ?
Si3 O9 Na2 118.5(4) . . ?
Cu2 O9 Na2 96.6(3) . . ?
Si4 O10 Cu2 128.1(4) . 2_656 ?
Si4 O10 Cu2 130.9(3) . . ?
Cu2 O10 Cu2 100.2(3) 2_656 . ?
Si5 O11 Cu2 133.8(4) . 2_656 ?
Si5 O11 Na2 121.7(4) . 2_656 ?
Cu2 O11 Na2 94.0(3) 2_656 2_656 ?
Si6 O12 Cu1 133.2(4) . . ?
Si6 O12 Na1 123.9(4) . . ?
Cu1 O12 Na1 96.6(3) . . ?
C6 C1 C2 115.9(9) . . ?
C6 C1 Si1 121.2(7) . . ?
C2 C1 Si1 122.9(7) . . ?
C3 C2 C1 121.4(10) . . ?
C3 C2 H2 119.3 . . ?
C1 C2 H2 119.3 . . ?
C4 C3 C2 121.0(10) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C5 C4 C3 117.6(10) . . ?
C5 C4 H4 121.2 . . ?
C3 C4 H4 121.2 . . ?
C6 C5 C4 121.3(10) . . ?
C6 C5 H5 119.3 . . ?
C4 C5 H5 119.3 . . ?
C5 C6 C1 122.8(10) . . ?
C5 C6 H6 118.6 . . ?
C1 C6 H6 118.6 . . ?
C12 C7 C8 113.9(11) . . ?
C12 C7 Si2 129.0(11) . . ?
C8 C7 Si2 117.0(9) . . ?
C9 C8 C7 120.2(15) . . ?
C9 C8 H8 119.9 . . ?
C7 C8 H8 119.9 . . ?
C10 C9 C8 122.5(18) . . ?
C10 C9 H9 118.7 . . ?
C8 C9 H9 118.7 . . ?
C9 C10 C11 120.0(14) . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C10 C11 C12 118.2(13) . . ?
C10 C11 H11 120.9 . . ?
C12 C11 H11 120.9 . . ?
C7 C12 C11 124.7(14) . . ?
C7 C12 H12 117.6 . . ?
C11 C12 H12 117.6 . . ?
C18 C13 C14 117.1(10) . . ?
C18 C13 Si3 124.5(8) . . ?
C14 C13 Si3 118.3(8) . . ?
C15 C14 C13 120.3(11) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C16 C15 C14 120.5(12) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 121.4(11) . . ?
C15 C16 H16 119.3 . . ?
C17 C16 H16 119.3 . . ?
C16 C17 C18 119.6(11) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C13 C18 C17 121.0(11) . . ?
C13 C18 H18 119.5 . . ?
C17 C18 H18 119.5 . . ?
C20 C19 C24 116.7(9) . . ?
C20 C19 Si4 122.6(8) . . ?
C24 C19 Si4 120.7(8) . . ?
C21 C20 C19 122.8(10) . . ?
C21 C20 H20 118.6 . . ?
C19 C20 H20 118.6 . . ?
C20 C21 C22 119.4(11) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 119.9(10) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 119.7(10) . . ?
C22 C23 H23 120.1 . . ?
C24 C23 H23 120.1 . . ?
C19 C24 C23 121.4(10) . . ?
C19 C24 H24 119.3 . . ?
C23 C24 H24 119.3 . . ?
C30 C25 C26 117.7(9) . . ?
C30 C25 Si5 120.6(8) . . ?
C26 C25 Si5 121.7(7) . . ?
C27 C26 C25 120.9(10) . . ?
C27 C26 H26 119.6 . . ?
C25 C26 H26 119.6 . . ?
C28 C27 C26 120.9(11) . . ?
C28 C27 H27 119.6 . . ?
C26 C27 H27 119.6 . . ?
C29 C28 C27 119.7(11) . . ?
C29 C28 H28 120.2 . . ?
C27 C28 H28 120.2 . . ?
C28 C29 C30 120.4(11) . . ?
C28 C29 H29 119.8 . . ?
C30 C29 H29 119.8 . . ?
C25 C30 C29 120.4(11) . . ?
C25 C30 H30 119.8 . . ?
C29 C30 H30 119.8 . . ?
C36 C31 C32 116.7(11) . . ?
C36 C31 Si6 122.9(9) . . ?
C32 C31 Si6 120.2(9) . . ?
C31 C32 C33 122.2(13) . . ?
C31 C32 H32 118.9 . . ?
C33 C32 H32 118.9 . . ?
C34 C33 C32 120.2(15) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C35 C34 C33 119.3(13) . . ?
C35 C34 H34 120.4 . . ?
C33 C34 H34 120.4 . . ?
C34 C35 C36 121.0(14) . . ?
C34 C35 H35 119.5 . . ?
C36 C35 H35 119.5 . . ?
C31 C36 C35 120.5(13) . . ?
C31 C36 H36 119.7 . . ?
C35 C36 H36 119.7 . . ?
C37 O13 Na1 131.4(6) . . ?
O13 C37 C38 121.3(3) . . ?
O13 C37 C39 121.5(3) . . ?
C38 C37 C39 117.1(3) . . ?
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 . . ?
C37 C39 H39A 109.5 . . ?
C37 C39 H39B 109.5 . . ?
H39A C39 H39B 109.5 . . ?
C37 C39 H39C 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?
C40 O14 Na1 122.2(5) . . ?
C40 O14 H14O 109.5 . . ?
Na1 O14 H14O 103.4 . . ?
O14 C40 C41 109.9(3) . . ?
O14 C40 H40A 109.7 . . ?
C41 C40 H40A 109.7 . . ?
O14 C40 H40B 109.7 . . ?
C41 C40 H40B 109.7 . . ?
H40A C40 H40B 108.2 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C42 O15 Na2 172.2(7) . . ?
O15 C42 C43 121.5(3) . . ?
O15 C42 C44 121.4(3) . . ?
C43 C42 C44 117.1(3) . . ?
C42 C43 H43A 109.5 . . ?
C42 C43 H43B 109.5 . . ?
H43A C43 H43B 109.5 . . ?
C42 C43 H43C 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C42 C44 H44A 109.5 . . ?
C42 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C42 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C45 O16 Na2 125.7(7) . . ?
C45 O16 H16O 104.4 . . ?
Na2 O16 H16O 105.6 . . ?
O16 C45 C46 110.0(3) . . ?
O16 C45 H45A 109.7 . . ?
C46 C45 H45A 109.7 . . ?
O16 C45 H45B 109.7 . . ?
C46 C45 H45B 109.7 . . ?
H45A C45 H45B 108.2 . . ?
C45 C46 H46A 109.5 . . ?
C45 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C45 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 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 O12 1.912(6) . ?
Cu1 O8 1.937(6) . ?
Cu1 O7 1.955(6) . ?
Cu1 O7 1.963(6) 2_656 ?
Cu2 O9 1.893(6) . ?
Cu2 O11 1.927(7) 2_656 ?
Cu2 O10 1.957(6) 2_656 ?
Cu2 O10 1.973(6) . ?
Si1 O7 1.599(6) . ?
Si1 O1 1.622(6) . ?
Si1 O6 1.629(7) . ?
Si1 C1 1.850(9) . ?
Si2 O8 1.567(7) . ?
Si2 O2 1.631(7) . ?
Si2 O1 1.656(7) . ?
Si2 C7 1.843(11) . ?
Si3 O9 1.606(7) . ?
Si3 O2 1.628(7) . ?
Si3 O3 1.645(7) . ?
Si3 C13 1.858(10) . ?
Si4 O10 1.607(6) . ?
Si4 O4 1.619(7) . ?
Si4 O3 1.640(7) . ?
Si4 C19 1.845(10) . ?
Si5 O11 1.584(7) . ?
Si5 O5 1.630(7) . ?
Si5 O4 1.641(7) . ?
Si5 C25 1.875(10) . ?
Si6 O12 1.588(7) . ?
Si6 O5 1.607(7) . ?
Si6 O6 1.660(6) 2_656 ?
Si6 C31 1.865(10) . ?
Na1 O12 2.256(7) . ?
Na1 O13 2.264(10) . ?
Na1 O8 2.276(8) . ?
Na1 O14 2.285(9) . ?
Na2 O9 2.343(8) . ?
Na2 O16 2.366(14) . ?
Na2 O11 2.395(7) 2_656 ?
Na2 O15 2.398(9) . ?
Na2 O1 2.624(8) . ?
Na2 O6 2.695(8) . ?
C1 C6 1.413(13) . ?
C1 C2 1.409(13) . ?
C2 C3 1.382(14) . ?
C2 H2 0.9500 . ?
C3 C4 1.399(15) . ?
C3 H3 0.9500 . ?
C4 C5 1.400(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.343(14) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.330(16) . ?
C7 C8 1.470(18) . ?
C8 C9 1.376(18) . ?
C8 H8 0.9500 . ?
C9 C10 1.32(3) . ?
C9 H9 0.9500 . ?
C10 C11 1.36(2) . ?
C10 H10 0.9500 . ?
C11 C12 1.422(17) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.371(14) . ?
C13 C14 1.391(15) . ?
C14 C15 1.402(16) . ?
C14 H14 0.9500 . ?
C15 C16 1.322(17) . ?
C15 H15 0.9500 . ?
C16 C17 1.339(17) . ?
C16 H16 0.9500 . ?
C17 C18 1.409(15) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C20 1.394(14) . ?
C19 C24 1.398(14) . ?
C20 C21 1.382(15) . ?
C20 H20 0.9500 . ?
C21 C22 1.371(16) . ?
C21 H21 0.9500 . ?
C22 C23 1.401(16) . ?
C22 H22 0.9500 . ?
C23 C24 1.389(15) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C30 1.395(14) . ?
C25 C26 1.401(14) . ?
C26 C27 1.386(15) . ?
C26 H26 0.9500 . ?
C27 C28 1.361(17) . ?
C27 H27 0.9500 . ?
C28 C29 1.380(17) . ?
C28 H28 0.9500 . ?
C29 C30 1.398(15) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C36 1.355(16) . ?
C31 C32 1.371(15) . ?
C32 C33 1.390(17) . ?
C32 H32 0.9500 . ?
C33 C34 1.34(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.33(2) . ?
C34 H34 0.9500 . ?
C35 C36 1.421(18) . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
O13 C37 1.225(3) . ?
C37 C38 1.496(3) . ?
C37 C39 1.495(3) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
O14 C40 1.430(3) . ?
O14 H14O 0.8997 . ?
C40 C41 1.525(3) . ?
C40 H40A 0.9900 . ?
C40 H40B 0.9900 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
O15 C42 1.225(3) . ?
C42 C43 1.495(3) . ?
C42 C44 1.496(3) . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
O16 C45 1.429(3) . ?
O16 H16O 0.9000 . ?
C45 C46 1.525(3) . ?
C45 H45A 0.9900 . ?
C45 H45B 0.9900 . ?
C46 H46A 0.9800 . ?
C46 H46B 0.9800 . ?
C46 H46C 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 40.9(6) . . . . ?
O6 Si1 O1 Si2 158.3(5) . . . . ?
C1 Si1 O1 Si2 -82.4(6) . . . . ?
O7 Si1 O1 Na2 -97.3(3) . . . . ?
O6 Si1 O1 Na2 20.1(4) . . . . ?
C1 Si1 O1 Na2 139.4(4) . . . . ?
O8 Si2 O1 Si1 -10.3(6) . . . . ?
O2 Si2 O1 Si1 -134.8(5) . . . . ?
C7 Si2 O1 Si1 113.1(6) . . . . ?
O8 Si2 O1 Na2 119.3(4) . . . . ?
O2 Si2 O1 Na2 -5.1(5) . . . . ?
C7 Si2 O1 Na2 -117.2(5) . . . . ?
O8 Si2 O2 Si3 -68.2(8) . . . . ?
O1 Si2 O2 Si3 53.5(8) . . . . ?
C7 Si2 O2 Si3 168.8(7) . . . . ?
O9 Si3 O2 Si2 -34.8(8) . . . . ?
O3 Si3 O2 Si2 88.3(7) . . . . ?
C13 Si3 O2 Si2 -159.4(7) . . . . ?
O10 Si4 O3 Si3 30.2(6) . . . . ?
O4 Si4 O3 Si3 150.7(5) . . . . ?
C19 Si4 O3 Si3 -92.2(6) . . . . ?
O9 Si3 O3 Si4 -6.8(6) . . . . ?
O2 Si3 O3 Si4 -131.3(5) . . . . ?
C13 Si3 O3 Si4 116.3(5) . . . . ?
O10 Si4 O4 Si5 -27.2(7) . . . . ?
O3 Si4 O4 Si5 -145.9(5) . . . . ?
C19 Si4 O4 Si5 96.9(6) . . . . ?
O11 Si5 O4 Si4 2.7(7) . . . . ?
O5 Si5 O4 Si4 126.4(5) . . . . ?
C25 Si5 O4 Si4 -121.7(6) . . . . ?
O12 Si6 O5 Si5 67.0(8) . . . . ?
O6 Si6 O5 Si5 -55.1(8) 2_656 . . . ?
C31 Si6 O5 Si5 -170.0(7) . . . . ?
O11 Si5 O5 Si6 34.9(9) . . . . ?
O4 Si5 O5 Si6 -87.4(8) . . . . ?
C25 Si5 O5 Si6 157.6(7) . . . . ?
O7 Si1 O6 Si6 -39.3(6) . . . 2_656 ?
O1 Si1 O6 Si6 -157.7(5) . . . 2_656 ?
C1 Si1 O6 Si6 82.3(6) . . . 2_656 ?
O7 Si1 O6 Na2 99.0(3) . . . . ?
O1 Si1 O6 Na2 -19.5(3) . . . . ?
C1 Si1 O6 Na2 -139.4(3) . . . . ?
O1 Si1 O7 Cu1 -40.3(6) . . . . ?
O6 Si1 O7 Cu1 -155.7(4) . . . . ?
C1 Si1 O7 Cu1 83.2(6) . . . . ?
O1 Si1 O7 Cu1 155.2(4) . . . 2_656 ?
O6 Si1 O7 Cu1 39.8(6) . . . 2_656 ?
C1 Si1 O7 Cu1 -81.3(6) . . . 2_656 ?
O2 Si2 O8 Cu1 92.4(6) . . . . ?
O1 Si2 O8 Cu1 -28.2(7) . . . . ?
C7 Si2 O8 Cu1 -149.4(5) . . . . ?
O2 Si2 O8 Na1 -47.0(6) . . . . ?
O1 Si2 O8 Na1 -167.6(4) . . . . ?
C7 Si2 O8 Na1 71.2(6) . . . . ?
O2 Si3 O9 Cu2 102.4(6) . . . . ?
O3 Si3 O9 Cu2 -17.2(7) . . . . ?
C13 Si3 O9 Cu2 -136.5(6) . . . . ?
O2 Si3 O9 Na2 -32.1(5) . . . . ?
O3 Si3 O9 Na2 -151.7(4) . . . . ?
C13 Si3 O9 Na2 89.0(5) . . . . ?
O11 Cu2 O9 Si3 -166.7(6) 2_656 . . . ?
O10 Cu2 O9 Si3 11.4(6) . . . . ?
Cu2 Cu2 O9 Si3 2.5(8) 2_656 . . . ?
O11 Cu2 O9 Na2 -25.9(3) 2_656 . . . ?
O10 Cu2 O9 Na2 152.3(3) . . . . ?
Cu2 Cu2 O9 Na2 143.37(17) 2_656 . . . ?
O4 Si4 O10 Cu2 36.5(5) . . . 2_656 ?
O3 Si4 O10 Cu2 154.6(4) . . . 2_656 ?
C19 Si4 O10 Cu2 -85.3(5) . . . 2_656 ?
O4 Si4 O10 Cu2 -155.7(4) . . . . ?
O3 Si4 O10 Cu2 -37.7(6) . . . . ?
C19 Si4 O10 Cu2 82.4(6) . . . . ?
O5 Si5 O11 Cu2 -101.4(6) . . . 2_656 ?
O4 Si5 O11 Cu2 18.5(7) . . . 2_656 ?
C25 Si5 O11 Cu2 140.6(5) . . . 2_656 ?
O5 Si5 O11 Na2 33.4(5) . . . 2_656 ?
O4 Si5 O11 Na2 153.4(4) . . . 2_656 ?
C25 Si5 O11 Na2 -84.5(5) . . . 2_656 ?
O5 Si6 O12 Cu1 -95.6(6) . . . . ?
O6 Si6 O12 Cu1 24.5(7) 2_656 . . . ?
C31 Si6 O12 Cu1 144.0(5) . . . . ?
O5 Si6 O12 Na1 49.6(6) . . . . ?
O6 Si6 O12 Na1 169.6(4) 2_656 . . . ?
C31 Si6 O12 Na1 -70.9(6) . . . . ?
O7 Si1 C1 C6 39.8(10) . . . . ?
O1 Si1 C1 C6 162.8(8) . . . . ?
O6 Si1 C1 C6 -80.5(9) . . . . ?
O7 Si1 C1 C2 -140.5(8) . . . . ?
O1 Si1 C1 C2 -17.4(10) . . . . ?
O6 Si1 C1 C2 99.2(9) . . . . ?
C6 C1 C2 C3 0.0(15) . . . . ?
Si1 C1 C2 C3 -179.7(9) . . . . ?
C1 C2 C3 C4 0.7(17) . . . . ?
C2 C3 C4 C5 -1.8(17) . . . . ?
C3 C4 C5 C6 2.4(18) . . . . ?
C4 C5 C6 C1 -1.9(19) . . . . ?
C2 C1 C6 C5 0.6(16) . . . . ?
Si1 C1 C6 C5 -179.6(9) . . . . ?
O8 Si2 C7 C12 25.5(12) . . . . ?
O2 Si2 C7 C12 149.5(11) . . . . ?
O1 Si2 C7 C12 -96.1(11) . . . . ?
O8 Si2 C7 C8 -157.3(8) . . . . ?
O2 Si2 C7 C8 -33.4(9) . . . . ?
O1 Si2 C7 C8 81.1(9) . . . . ?
C12 C7 C8 C9 -0.3(18) . . . . ?
Si2 C7 C8 C9 -177.9(12) . . . . ?
C7 C8 C9 C10 4(3) . . . . ?
C8 C9 C10 C11 -8(3) . . . . ?
C9 C10 C11 C12 7(3) . . . . ?
C8 C7 C12 C11 0.5(19) . . . . ?
Si2 C7 C12 C11 177.7(11) . . . . ?
C10 C11 C12 C7 -4(2) . . . . ?
O9 Si3 C13 C18 -149.6(9) . . . . ?
O2 Si3 C13 C18 -24.1(11) . . . . ?
O3 Si3 C13 C18 87.8(10) . . . . ?
O9 Si3 C13 C14 34.1(11) . . . . ?
O2 Si3 C13 C14 159.6(10) . . . . ?
O3 Si3 C13 C14 -88.5(10) . . . . ?
C18 C13 C14 C15 0(2) . . . . ?
Si3 C13 C14 C15 176.2(11) . . . . ?
C13 C14 C15 C16 2(2) . . . . ?
C14 C15 C16 C17 -2(2) . . . . ?
C15 C16 C17 C18 2(2) . . . . ?
C14 C13 C18 C17 -0.1(18) . . . . ?
Si3 C13 C18 C17 -176.4(10) . . . . ?
C16 C17 C18 C13 -1(2) . . . . ?
O10 Si4 C19 C20 140.2(8) . . . . ?
O4 Si4 C19 C20 16.7(9) . . . . ?
O3 Si4 C19 C20 -99.8(8) . . . . ?
O10 Si4 C19 C24 -39.3(9) . . . . ?
O4 Si4 C19 C24 -162.8(7) . . . . ?
O3 Si4 C19 C24 80.7(8) . . . . ?
C24 C19 C20 C21 -1.7(15) . . . . ?
Si4 C19 C20 C21 178.7(8) . . . . ?
C19 C20 C21 C22 0.4(16) . . . . ?
C20 C21 C22 C23 1.0(16) . . . . ?
C21 C22 C23 C24 -1.0(16) . . . . ?
C20 C19 C24 C23 1.7(15) . . . . ?
Si4 C19 C24 C23 -178.7(8) . . . . ?
C22 C23 C24 C19 -0.4(16) . . . . ?
O11 Si5 C25 C30 -38.0(9) . . . . ?
O5 Si5 C25 C30 -161.2(8) . . . . ?
O4 Si5 C25 C30 85.3(8) . . . . ?
O11 Si5 C25 C26 142.8(8) . . . . ?
O5 Si5 C25 C26 19.7(9) . . . . ?
O4 Si5 C25 C26 -93.9(8) . . . . ?
C30 C25 C26 C27 0.6(15) . . . . ?
Si5 C25 C26 C27 179.8(8) . . . . ?
C25 C26 C27 C28 -1.4(17) . . . . ?
C26 C27 C28 C29 1.6(17) . . . . ?
C27 C28 C29 C30 -1.1(17) . . . . ?
C26 C25 C30 C29 -0.1(14) . . . . ?
Si5 C25 C30 C29 -179.3(8) . . . . ?
C28 C29 C30 C25 0.4(16) . . . . ?
O12 Si6 C31 C36 153.1(9) . . . . ?
O5 Si6 C31 C36 28.4(10) . . . . ?
O6 Si6 C31 C36 -85.8(10) 2_656 . . . ?
O12 Si6 C31 C32 -30.5(9) . . . . ?
O5 Si6 C31 C32 -155.2(8) . . . . ?
O6 Si6 C31 C32 90.6(9) 2_656 . . . ?
C36 C31 C32 C33 0.1(17) . . . . ?
Si6 C31 C32 C33 -176.5(9) . . . . ?
C31 C32 C33 C34 2.7(19) . . . . ?
C32 C33 C34 C35 -3(2) . . . . ?
C33 C34 C35 C36 2(2) . . . . ?
C32 C31 C36 C35 -1.9(17) . . . . ?
Si6 C31 C36 C35 174.6(10) . . . . ?
C34 C35 C36 C31 1(2) . . . . ?
Na1 O13 C37 C38 161.5(7) . . . . ?
Na1 O13 C37 C39 -18.5(7) . . . . ?
Na1 O14 C40 C41 3.5(14) . . . . ?
Na2 O16 C45 C46 -13(2) . . . . ?
