#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:57:19 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179770 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/66/7006617.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_7006617
loop_
_publ_author_name
'Elvidge, Benjamin R.'
'Arndt, Stefan'
'Spaniol, Thomas P.'
'Okuda, Jun'
_publ_section_title
;
 Synthesis, structure and hydrosilylation activity of neutral and
 cationic rare-earth metal silanolate complexes.
;
_journal_issue                   7
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              890
_journal_page_last               901
_journal_paper_doi               10.1039/b512285f
_journal_year                    2006
_chemical_formula_sum            'C40 H98 O8 Si6 Y2'
_chemical_formula_weight         1053.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 103.003(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.406(3)
_cell_length_b                   20.736(4)
_cell_length_c                   19.089(4)
_cell_measurement_reflns_used    956
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      26.51
_cell_measurement_theta_min      2.50
_cell_volume                     5942(2)
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_collection       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1154
_diffrn_reflns_av_sigmaI/netI    0.1765
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            40280
_diffrn_reflns_theta_full        28.38
_diffrn_reflns_theta_max         28.38
_diffrn_reflns_theta_min         1.47
_exptl_absorpt_coefficient_mu    2.103
_exptl_absorpt_correction_T_max  0.6005
_exptl_absorpt_correction_T_min  0.4720
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS (1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2256
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.27
_refine_diff_density_max         1.380
_refine_diff_density_min         -0.721
_refine_diff_density_rms         0.106
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     535
_refine_ls_number_reflns         14697
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.1679
_refine_ls_R_factor_gt           0.0661
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0578P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1216
_refine_ls_wR_factor_ref         0.1511
_reflns_number_gt                6991
_reflns_number_total             14697
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b512285f.txt
_cod_data_source_block           be6
_cod_original_sg_symbol_H-M      'P 1 2(1)/n 1'
_cod_database_code               7006617
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.96277(3) 0.35361(2) 0.73061(2) 0.02396(13) Uani 1 1 d . . .
Y2 Y 0.97421(3) 0.18396(3) 0.68788(3) 0.02836(14) Uani 1 1 d . . .
Si1 Si 1.09826(9) 0.50852(7) 0.79638(8) 0.0275(3) Uani 1 1 d . . .
Si2 Si 0.77914(13) 0.39416(10) 0.56595(9) 0.0600(6) Uani 1 1 d . . .
Si3 Si 0.84748(9) 0.26761(7) 0.80849(7) 0.0234(3) Uani 1 1 d . . .
Si4 Si 0.76832(10) 0.11883(8) 0.53497(8) 0.0341(4) Uani 1 1 d . . .
Si5 Si 1.01697(10) 0.01531(8) 0.77156(9) 0.0393(4) Uani 1 1 d . . .
Si6 Si 1.11129(9) 0.27259(7) 0.63379(7) 0.0274(4) Uani 1 1 d . . .
O1 O 0.8622(2) 0.34758(16) 0.80655(16) 0.0239(8) Uani 1 1 d . . .
O2 O 0.9159(2) 0.24978(16) 0.75875(16) 0.0256(8) Uani 1 1 d . . .
O3 O 0.7450(2) 0.25381(16) 0.77155(16) 0.0282(8) Uani 1 1 d . . .
O4 O 0.8693(2) 0.24023(16) 0.88953(16) 0.0247(8) Uani 1 1 d . . .
O5 O 1.0747(2) 0.19828(17) 0.60865(17) 0.0324(9) Uani 1 1 d . . .
O6 O 1.0465(2) 0.28352(17) 0.68848(17) 0.0290(8) Uani 1 1 d . . .
O7 O 1.0910(2) 0.31691(17) 0.56276(17) 0.0326(9) Uani 1 1 d . . .
O8 O 1.2161(2) 0.27588(16) 0.66866(16) 0.0266(8) Uani 1 1 d . . .
C1 C 1.0757(3) 0.4211(2) 0.7997(3) 0.0314(13) Uani 1 1 d . . .
H1A H 1.0714 0.4135 0.8501 0.038 Uiso 1 1 calc R . .
H1B H 1.1321 0.4006 0.7952 0.038 Uiso 1 1 calc R . .
C2 C 1.0774(4) 0.5510(3) 0.8777(3) 0.0381(14) Uani 1 1 d . . .
H2A H 1.0157 0.5436 0.8813 0.057 Uiso 1 1 calc R . .
H2B H 1.0875 0.5974 0.8735 0.057 Uiso 1 1 calc R . .
H2C H 1.1181 0.5343 0.9209 0.057 Uiso 1 1 calc R . .
C3 C 1.2170(4) 0.5239(3) 0.7911(3) 0.0473(16) Uani 1 1 d . . .
H3A H 1.2574 0.5051 0.8332 0.071 Uiso 1 1 calc R . .
H3B H 1.2274 0.5705 0.7900 0.071 Uiso 1 1 calc R . .
H3C H 1.2282 0.5042 0.7473 0.071 Uiso 1 1 calc R . .
C4 C 1.0277(4) 0.5503(3) 0.7160(3) 0.0429(15) Uani 1 1 d . . .
H4A H 1.0409 0.5325 0.6720 0.064 Uiso 1 1 calc R . .
H4B H 1.0408 0.5965 0.7187 0.064 Uiso 1 1 calc R . .
H4C H 0.9646 0.5435 0.7154 0.064 Uiso 1 1 calc R . .
C5 C 0.8881(4) 0.4012(4) 0.6209(3) 0.064(2) Uani 1 1 d . . .
H5A H 0.8949 0.4481 0.6305 0.076 Uiso 1 1 calc R . .
H5B H 0.9273 0.3914 0.5877 0.076 Uiso 1 1 calc R . .
C6 C 0.7032(4) 0.3410(3) 0.6040(3) 0.060(2) Uani 1 1 d . . .
H6A H 0.7375 0.3055 0.6307 0.089 Uiso 1 1 calc R . .
H6B H 0.6569 0.3235 0.5648 0.089 Uiso 1 1 calc R . .
H6C H 0.6753 0.3662 0.6365 0.089 Uiso 1 1 calc R . .
C7 C 0.7588(7) 0.3878(7) 0.4721(4) 0.200(7) Uani 1 1 d . . .
H7A H 0.7760 0.4281 0.4520 0.300 Uiso 1 1 calc R . .
H7B H 0.6953 0.3797 0.4526 0.300 Uiso 1 1 calc R . .
H7C H 0.7938 0.3521 0.4591 0.300 Uiso 1 1 calc R . .
C8 C 0.7276(7) 0.4814(5) 0.5716(7) 0.193(7) Uani 1 1 d . . .
H8A H 0.7058 0.4850 0.6159 0.290 Uiso 1 1 calc R . .
H8B H 0.6780 0.4882 0.5300 0.290 Uiso 1 1 calc R . .
H8C H 0.7735 0.5142 0.5717 0.290 Uiso 1 1 calc R . .
C9 C 0.8261(3) 0.4018(3) 0.8426(3) 0.0288(12) Uani 1 1 d . . .
C10 C 0.8313(3) 0.4604(2) 0.7968(3) 0.0340(13) Uani 1 1 d . . .
H10A H 0.8934 0.4680 0.7946 0.051 Uiso 1 1 calc R . .
H10B H 0.8085 0.4981 0.8179 0.051 Uiso 1 1 calc R . .
H10C H 0.7953 0.4532 0.7481 0.051 Uiso 1 1 calc R . .
C11 C 0.8841(4) 0.4090(3) 0.9171(3) 0.0523(18) Uani 1 1 d . . .
H11A H 0.8817 0.3693 0.9444 0.078 Uiso 1 1 calc R . .
H11B H 0.8626 0.4452 0.9415 0.078 Uiso 1 1 calc R . .
H11C H 0.9457 0.4172 0.9137 0.078 Uiso 1 1 calc R . .
C12 C 0.7302(4) 0.3872(3) 0.8449(3) 0.0479(16) Uani 1 1 d . . .
H12A H 0.6952 0.3800 0.7959 0.072 Uiso 1 1 calc R . .
H12B H 0.7053 0.4237 0.8663 0.072 Uiso 1 1 calc R . .
H12C H 0.7283 0.3484 0.8739 0.072 Uiso 1 1 calc R . .
C13 C 0.6774(3) 0.2058(3) 0.7772(3) 0.0314(13) Uani 1 1 d . . .
C14 C 0.6297(4) 0.2281(3) 0.8339(3) 0.0440(16) Uani 1 1 d . . .
H14A H 0.6723 0.2311 0.8803 0.066 Uiso 1 1 calc R . .
H14B H 0.5829 0.1970 0.8374 0.066 Uiso 1 1 calc R . .
H14C H 0.6029 0.2705 0.8206 0.066 Uiso 1 1 calc R . .
C15 C 0.6139(3) 0.2047(3) 0.7040(3) 0.0427(16) Uani 1 1 d . . .
H15A H 0.5881 0.2477 0.6928 0.064 Uiso 1 1 calc R . .
H15B H 0.5661 0.1735 0.7044 0.064 Uiso 1 1 calc R . .
H15C H 0.6463 0.1921 0.6675 0.064 Uiso 1 1 calc R . .
C16 C 0.7202(3) 0.1404(3) 0.7960(3) 0.0454(16) Uani 1 1 d . . .
H16A H 0.7548 0.1286 0.7607 0.068 Uiso 1 1 calc R . .
H16B H 0.6737 0.1080 0.7956 0.068 Uiso 1 1 calc R . .
H16C H 0.7597 0.1422 0.8440 0.068 Uiso 1 1 calc R . .
C17 C 0.9487(3) 0.2198(3) 0.9419(3) 0.0287(12) Uani 1 1 d . . .
C18 C 0.9356(4) 0.2397(3) 1.0160(3) 0.0411(15) Uani 1 1 d . . .
H18A H 0.9365 0.2868 1.0197 0.062 Uiso 1 1 calc R . .
H18B H 0.9838 0.2216 1.0533 0.062 Uiso 1 1 calc R . .
H18C H 0.8783 0.2233 1.0225 0.062 Uiso 1 1 calc R . .
C19 C 0.9529(4) 0.1470(3) 0.9366(3) 0.0430(15) Uani 1 1 d . . .
H19A H 0.9000 0.1281 0.9491 0.064 Uiso 1 1 calc R . .
H19B H 1.0065 0.1312 0.9700 0.064 Uiso 1 1 calc R . .
H19C H 0.9547 0.1347 0.8874 0.064 Uiso 1 1 calc R . .
C20 C 1.0324(3) 0.2502(3) 0.9257(3) 0.0359(14) Uani 1 1 d . . .
H20A H 1.0411 0.2341 0.8795 0.054 Uiso 1 1 calc R . .
H20B H 1.0841 0.2388 0.9639 0.054 Uiso 1 1 calc R . .
H20C H 1.0256 0.2972 0.9234 0.054 Uiso 1 1 calc R . .
C21 C 0.8358(3) 0.1447(3) 0.6212(3) 0.0429(15) Uani 1 1 d . . .
H21A H 0.8287 0.1068 0.6509 0.051 Uiso 1 1 calc R . .
H21B H 0.7955 0.1775 0.6343 0.051 Uiso 1 1 calc R . .
C22 C 0.7634(5) 0.1827(5) 0.4644(4) 0.145(5) Uani 1 1 d . . .
H22A H 0.8196 0.2068 0.4740 0.217 Uiso 1 1 calc R . .
H22B H 0.7141 0.2123 0.4655 0.217 Uiso 1 1 calc R . .
H22C H 0.7539 0.1624 0.4169 0.217 Uiso 1 1 calc R . .
C23 C 0.8128(5) 0.0421(4) 0.5058(5) 0.141(5) Uani 1 1 d . . .
H23A H 0.8653 0.0515 0.4865 0.212 Uiso 1 1 calc R . .
H23B H 0.7670 0.0216 0.4685 0.212 Uiso 1 1 calc R . .
H23C H 0.8297 0.0130 0.5471 0.212 Uiso 1 1 calc R . .
C24 C 0.6492(3) 0.1018(3) 0.5372(3) 0.0406(15) Uani 1 1 d . . .
H24A H 0.6474 0.0714 0.5762 0.061 Uiso 1 1 calc R . .
H24B H 0.6184 0.0829 0.4913 0.061 Uiso 1 1 calc R . .
H24C H 0.6197 0.1420 0.5454 0.061 Uiso 1 1 calc R . .
C25 C 1.0498(3) 0.1006(2) 0.7621(3) 0.0361(14) Uani 1 1 d . . .
H25A H 1.1089 0.0979 0.7499 0.043 Uiso 1 1 calc R . .
H25B H 1.0611 0.1184 0.8115 0.043 Uiso 1 1 calc R . .
C26 C 0.9040(4) 0.0101(3) 0.7918(4) 0.061(2) Uani 1 1 d . . .
H26A H 0.9042 0.0331 0.8367 0.091 Uiso 1 1 calc R . .
H26B H 0.8887 -0.0353 0.7969 0.091 Uiso 1 1 calc R . .
H26C H 0.8600 0.0297 0.7524 0.091 Uiso 1 1 calc R . .
C27 C 1.0928(4) -0.0290(3) 0.8473(3) 0.0589(19) Uani 1 1 d . . .
H27A H 1.1535 -0.0293 0.8394 0.088 Uiso 1 1 calc R . .
H27B H 1.0718 -0.0735 0.8490 0.088 Uiso 1 1 calc R . .
H27C H 1.0925 -0.0074 0.8929 0.088 Uiso 1 1 calc R . .
C28 C 1.0131(4) -0.0319(3) 0.6867(3) 0.0481(16) Uani 1 1 d . . .
H28A H 0.9950 -0.0764 0.6934 0.072 Uiso 1 1 calc R . .
H28B H 1.0722 -0.0318 0.6757 0.072 Uiso 1 1 calc R . .
H28C H 0.9699 -0.0120 0.6469 0.072 Uiso 1 1 calc R . .
C29 C 1.0899(4) 0.1576(3) 0.5484(3) 0.0429(16) Uani 1 1 d . . .
C30 C 1.1883(4) 0.1597(3) 0.5479(3) 0.0497(17) Uani 1 1 d . . .
H30A H 1.2056 0.2041 0.5400 0.075 Uiso 1 1 calc R . .
H30B H 1.1995 0.1320 0.5092 0.075 Uiso 1 1 calc R . .
H30C H 1.2234 0.1442 0.5942 0.075 Uiso 1 1 calc R . .
C31 C 1.0610(4) 0.0898(3) 0.5656(3) 0.0505(18) Uani 1 1 d . . .
H31A H 1.0984 0.0752 0.6114 0.076 Uiso 1 1 calc R . .
H31B H 1.0677 0.0600 0.5272 0.076 Uiso 1 1 calc R . .
H31C H 0.9986 0.0907 0.5691 0.076 Uiso 1 1 calc R . .
C32 C 1.0322(4) 0.1833(3) 0.4791(3) 0.0558(19) Uani 1 1 d . . .
H32A H 0.9698 0.1839 0.4828 0.084 Uiso 1 1 calc R . .
H32B H 1.0384 0.1555 0.4390 0.084 Uiso 1 1 calc R . .
H32C H 1.0511 0.2272 0.4706 0.084 Uiso 1 1 calc R . .
C33 C 1.1306(3) 0.3767(3) 0.5457(3) 0.0342(14) Uani 1 1 d . . .
C34 C 1.2199(3) 0.3618(3) 0.5280(3) 0.0440(16) Uani 1 1 d . . .
H34A H 1.2603 0.3434 0.5704 0.066 Uiso 1 1 calc R . .
H34B H 1.2457 0.4016 0.5138 0.066 Uiso 1 1 calc R . .
H34C H 1.2113 0.3307 0.4884 0.066 Uiso 1 1 calc R . .
C35 C 1.0647(4) 0.4038(3) 0.4797(3) 0.0544(19) Uani 1 1 d . . .
H35A H 1.0539 0.3715 0.4413 0.082 Uiso 1 1 calc R . .
H35B H 1.0897 0.4428 0.4630 0.082 Uiso 1 1 calc R . .
H35C H 1.0083 0.4144 0.4928 0.082 Uiso 1 1 calc R . .
C36 C 1.1410(4) 0.4233(3) 0.6082(3) 0.0385(14) Uani 1 1 d . . .
H36A H 1.0834 0.4290 0.6211 0.058 Uiso 1 1 calc R . .
H36B H 1.1619 0.4650 0.5943 0.058 Uiso 1 1 calc R . .
H36C H 1.1843 0.4061 0.6496 0.058 Uiso 1 1 calc R . .
C37 C 1.2797(3) 0.2636(2) 0.7359(3) 0.0284(12) Uani 1 1 d . . .
C38 C 1.2394(4) 0.2216(3) 0.7848(3) 0.0523(18) Uani 1 1 d . . .
H38A H 1.1897 0.2445 0.7979 0.078 Uiso 1 1 calc R . .
H38B H 1.2847 0.2116 0.8284 0.078 Uiso 1 1 calc R . .
H38C H 1.2176 0.1814 0.7599 0.078 Uiso 1 1 calc R . .
C39 C 1.3085(4) 0.3289(3) 0.7693(3) 0.0469(16) Uani 1 1 d . . .
H39A H 1.3316 0.3553 0.7350 0.070 Uiso 1 1 calc R . .
H39B H 1.3552 0.3228 0.8131 0.070 Uiso 1 1 calc R . .
H39C H 1.2573 0.3505 0.7814 0.070 Uiso 1 1 calc R . .
C40 C 1.3578(4) 0.2296(3) 0.7154(3) 0.0495(17) Uani 1 1 d . . .
H40A H 1.3380 0.1880 0.6931 0.074 Uiso 1 1 calc R . .
H40B H 1.4049 0.2225 0.7586 0.074 Uiso 1 1 calc R . .
H40C H 1.3807 0.2564 0.6813 0.074 Uiso 1 1 calc R . .
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'
Y Y -2.7962 3.5667 '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
O6 Y1 O1 135.11(12) . . ?
O6 Y1 C5 99.18(19) . . ?
O1 Y1 C5 108.13(17) . . ?
O6 Y1 O2 73.59(12) . . ?
O1 Y1 O2 62.33(11) . . ?
C5 Y1 O2 117.85(18) . . ?
O6 Y1 C1 100.05(15) . . ?
O1 Y1 C1 100.94(15) . . ?
C5 Y1 C1 113.2(2) . . ?
O2 Y1 C1 128.96(14) . . ?
O6 Y1 Si3 103.81(9) . . ?
O1 Y1 Si3 31.90(8) . . ?
C5 Y1 Si3 116.39(15) . . ?
O2 Y1 Si3 30.44(8) . . ?
C1 Y1 Si3 119.62(13) . . ?
O6 Y1 Y2 38.58(9) . . ?
O1 Y1 Y2 99.16(8) . . ?
C5 Y1 Y2 104.13(19) . . ?
O2 Y1 Y2 37.07(7) . . ?
C1 Y1 Y2 128.88(12) . . ?
Si3 Y1 Y2 67.30(3) . . ?
O2 Y2 O6 73.48(11) . . ?
O2 Y2 C21 95.69(16) . . ?
O6 Y2 C21 132.41(17) . . ?
O2 Y2 C25 107.02(15) . . ?
O6 Y2 C25 118.07(15) . . ?
C21 Y2 C25 109.46(19) . . ?
O2 Y2 O5 134.61(12) . . ?
O6 Y2 O5 61.57(11) . . ?
C21 Y2 O5 109.40(15) . . ?
C25 Y2 O5 99.56(15) . . ?
O2 Y2 Si6 103.39(9) . . ?
O6 Y2 Si6 29.94(8) . . ?
C21 Y2 Si6 127.91(14) . . ?
C25 Y2 Si6 110.28(13) . . ?
O5 Y2 Si6 31.73(8) . . ?
O2 Y2 Y1 39.50(8) . . ?
O6 Y2 Y1 36.03(8) . . ?
C21 Y2 Y1 111.78(15) . . ?
C25 Y2 Y1 128.03(12) . . ?
O5 Y2 Y1 95.29(8) . . ?
Si6 Y2 Y1 64.96(3) . . ?
C1 Si1 C2 111.3(2) . . ?
C1 Si1 C4 113.6(2) . . ?
C2 Si1 C4 106.5(2) . . ?
C1 Si1 C3 111.2(2) . . ?
C2 Si1 C3 108.3(3) . . ?
C4 Si1 C3 105.6(3) . . ?
C7 Si2 C5 122.6(4) . . ?
C7 Si2 C6 111.7(4) . . ?
C5 Si2 C6 114.2(3) . . ?
C7 Si2 C8 98.1(6) . . ?
C5 Si2 C8 103.3(5) . . ?
C6 Si2 C8 102.9(4) . . ?
O3 Si3 O4 109.37(17) . . ?
O3 Si3 O2 114.19(18) . . ?
O4 Si3 O2 117.50(18) . . ?
O3 Si3 O1 106.96(18) . . ?
O4 Si3 O1 111.72(17) . . ?
O2 Si3 O1 95.99(17) . . ?
O3 Si3 Y1 120.15(13) . . ?
O4 Si3 Y1 129.86(13) . . ?
O2 Si3 Y1 48.14(12) . . ?
O1 Si3 Y1 47.88(11) . . ?
C21 Si4 C23 110.4(3) . . ?
C21 Si4 C22 111.3(4) . . ?
C23 Si4 C22 110.2(5) . . ?
C21 Si4 C24 113.4(2) . . ?
C23 Si4 C24 105.8(3) . . ?
C22 Si4 C24 105.5(3) . . ?
C25 Si5 C26 111.2(3) . . ?
C25 Si5 C27 113.8(3) . . ?
C26 Si5 C27 105.0(3) . . ?
C25 Si5 C28 111.6(3) . . ?
C26 Si5 C28 107.3(3) . . ?
C27 Si5 C28 107.5(3) . . ?
O8 Si6 O7 108.16(18) . . ?
O8 Si6 O6 115.90(18) . . ?
O7 Si6 O6 115.71(19) . . ?
O8 Si6 O5 113.66(18) . . ?
O7 Si6 O5 107.17(18) . . ?
O6 Si6 O5 95.56(18) . . ?
O8 Si6 Y2 125.21(14) . . ?
O7 Si6 Y2 126.39(13) . . ?
O6 Si6 Y2 46.45(13) . . ?
O5 Si6 Y2 49.30(11) . . ?
C9 O1 Si3 132.1(3) . . ?
C9 O1 Y1 127.6(3) . . ?
Si3 O1 Y1 100.21(15) . . ?
Si3 O2 Y2 153.7(2) . . ?
Si3 O2 Y1 101.42(16) . . ?
Y2 O2 Y1 103.43(12) . . ?
C13 O3 Si3 137.5(3) . . ?
C17 O4 Si3 136.3(3) . . ?
C29 O5 Si6 130.0(3) . . ?
C29 O5 Y2 130.6(3) . . ?
Si6 O5 Y2 98.98(15) . . ?
Si6 O6 Y1 145.4(2) . . ?
Si6 O6 Y2 103.61(17) . . ?
Y1 O6 Y2 105.38(12) . . ?
C33 O7 Si6 131.7(3) . . ?
C37 O8 Si6 140.9(3) . . ?
Si1 C1 Y1 132.5(2) . . ?
Si1 C1 H1A 104.1 . . ?
Y1 C1 H1A 104.1 . . ?
Si1 C1 H1B 104.1 . . ?
Y1 C1 H1B 104.1 . . ?
H1A C1 H1B 105.5 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
H2A C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
Si2 C5 Y1 134.1(3) . . ?
Si2 C5 H5A 103.7 . . ?
Y1 C5 H5A 103.7 . . ?
Si2 C5 H5B 103.7 . . ?
Y1 C5 H5B 103.7 . . ?
H5A C5 H5B 105.3 . . ?
Si2 C6 H6A 109.5 . . ?
Si2 C6 H6B 109.5 . . ?
H6A C6 H6B 109.5 . . ?
Si2 C6 H6C 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
Si2 C7 H7A 109.5 . . ?
Si2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
Si2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
Si2 C8 H8A 109.5 . . ?
Si2 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
Si2 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
O1 C9 C11 107.9(4) . . ?
O1 C9 C10 105.5(4) . . ?
C11 C9 C10 111.7(5) . . ?
O1 C9 C12 109.2(4) . . ?
C11 C9 C12 111.5(5) . . ?
C10 C9 C12 110.8(4) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C9 C11 H11A 109.5 . . ?
C9 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C9 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C9 C12 H12A 109.5 . . ?
C9 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C9 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O3 C13 C14 108.3(4) . . ?
O3 C13 C15 105.5(4) . . ?
C14 C13 C15 110.4(4) . . ?
O3 C13 C16 110.3(4) . . ?
C14 C13 C16 111.0(5) . . ?
C15 C13 C16 111.2(5) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C13 C15 H15A 109.5 . . ?
C13 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C13 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C13 C16 H16A 109.5 . . ?
C13 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C13 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O4 C17 C19 106.6(4) . . ?
O4 C17 C20 111.0(4) . . ?
C19 C17 C20 110.4(4) . . ?
O4 C17 C18 106.9(4) . . ?
C19 C17 C18 110.3(4) . . ?
C20 C17 C18 111.6(4) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
Si4 C21 Y2 148.2(3) . . ?
Si4 C21 H21A 99.7 . . ?
Y2 C21 H21A 99.7 . . ?
Si4 C21 H21B 99.7 . . ?
Y2 C21 H21B 99.7 . . ?
H21A C21 H21B 104.1 . . ?
Si4 C22 H22A 109.5 . . ?
Si4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si4 C23 H23A 109.5 . . ?
Si4 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si4 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si4 C24 H24A 109.5 . . ?
Si4 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si4 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si5 C25 Y2 130.1(3) . . ?
Si5 C25 H25A 104.7 . . ?
Y2 C25 H25A 104.7 . . ?
Si5 C25 H25B 104.7 . . ?
Y2 C25 H25B 104.7 . . ?
H25A C25 H25B 105.7 . . ?
Si5 C26 H26A 109.5 . . ?
Si5 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si5 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si5 C27 H27A 109.5 . . ?
Si5 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si5 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si5 C28 H28A 109.5 . . ?
Si5 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si5 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O5 C29 C32 108.2(5) . . ?
O5 C29 C30 108.7(4) . . ?
C32 C29 C30 112.0(5) . . ?
O5 C29 C31 104.5(4) . . ?
C32 C29 C31 111.6(5) . . ?
C30 C29 C31 111.4(5) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O7 C33 C36 110.1(4) . . ?
O7 C33 C34 108.8(4) . . ?
C36 C33 C34 111.4(4) . . ?
O7 C33 C35 105.2(4) . . ?
C36 C33 C35 110.2(5) . . ?
C34 C33 C35 110.9(4) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C33 C36 H36A 109.5 . . ?
C33 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C33 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
O8 C37 C38 111.0(4) . . ?
O8 C37 C40 105.7(4) . . ?
C38 C37 C40 110.6(5) . . ?
O8 C37 C39 106.8(4) . . ?
C38 C37 C39 112.1(5) . . ?
C40 C37 C39 110.4(4) . . ?
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 . . ?
C37 C40 H40A 109.5 . . ?
C37 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C37 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
Y1 O6 2.211(3) . ?
Y1 O1 2.352(3) . ?
Y1 C5 2.366(5) . ?
Y1 O2 2.370(3) . ?
Y1 C1 2.386(5) . ?
Y1 Si3 3.1198(15) . ?
Y1 Y2 3.6245(10) . ?
Y2 O2 2.246(3) . ?
Y2 O6 2.344(3) . ?
Y2 C21 2.367(5) . ?
Y2 C25 2.369(5) . ?
Y2 O5 2.413(3) . ?
Y2 Si6 3.1441(16) . ?
Si1 C1 1.849(5) . ?
Si1 C2 1.875(5) . ?
Si1 C4 1.880(5) . ?
Si1 C3 1.882(5) . ?
Si2 C7 1.754(8) . ?
Si2 C5 1.774(6) . ?
Si2 C6 1.869(6) . ?
Si2 C8 1.989(10) . ?
Si3 O3 1.603(3) . ?
Si3 O4 1.611(3) . ?
Si3 O2 1.613(3) . ?
Si3 O1 1.675(4) . ?
Si4 C21 1.819(5) . ?
Si4 C23 1.866(7) . ?
Si4 C22 1.878(8) . ?
Si4 C24 1.879(5) . ?
Si5 C25 1.859(5) . ?
Si5 C26 1.869(5) . ?
Si5 C27 1.881(6) . ?
Si5 C28 1.881(6) . ?
Si6 O8 1.603(3) . ?
Si6 O7 1.609(4) . ?
Si6 O6 1.615(3) . ?
Si6 O5 1.674(4) . ?
O1 C9 1.489(6) . ?
O3 C13 1.462(6) . ?
O4 C17 1.458(5) . ?
O5 C29 1.487(6) . ?
O7 C33 1.450(6) . ?
O8 C37 1.451(5) . ?
C1 H1A 0.9900 . ?
C1 H1B 0.9900 . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
C9 C11 1.507(7) . ?
C9 C10 1.511(7) . ?
C9 C12 1.518(7) . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.511(7) . ?
C13 C15 1.515(6) . ?
C13 C16 1.517(7) . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 C19 1.514(7) . ?
C17 C20 1.527(7) . ?
C17 C18 1.530(7) . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9900 . ?
C21 H21B 0.9900 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 C32 1.515(8) . ?
C29 C30 1.519(7) . ?
C29 C31 1.533(8) . ?
C30 H30A 0.9800 . ?
C30 H30B 0.9800 . ?
C30 H30C 0.9800 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 C36 1.515(7) . ?
C33 C34 1.521(7) . ?
C33 C35 1.537(7) . ?
C34 H34A 0.9800 . ?
C34 H34B 0.9800 . ?
C34 H34C 0.9800 . ?
C35 H35A 0.9800 . ?
C35 H35B 0.9800 . ?
C35 H35C 0.9800 . ?
C36 H36A 0.9800 . ?
C36 H36B 0.9800 . ?
C36 H36C 0.9800 . ?
C37 C38 1.509(7) . ?
C37 C40 1.518(7) . ?
C37 C39 1.520(7) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?
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
O6 Y1 Y2 O2 155.20(18) . . . . ?
O1 Y1 Y2 O2 -6.33(14) . . . . ?
C5 Y1 Y2 O2 -117.77(19) . . . . ?
C1 Y1 Y2 O2 105.8(2) . . . . ?
Si3 Y1 Y2 O2 -4.72(12) . . . . ?
O1 Y1 Y2 O6 -161.53(15) . . . . ?
C5 Y1 Y2 O6 87.0(2) . . . . ?
O2 Y1 Y2 O6 -155.20(18) . . . . ?
C1 Y1 Y2 O6 -49.4(2) . . . . ?
Si3 Y1 Y2 O6 -159.92(14) . . . . ?
O6 Y1 Y2 C21 -133.3(2) . . . . ?
O1 Y1 Y2 C21 65.20(16) . . . . ?
C5 Y1 Y2 C21 -46.2(2) . . . . ?
O2 Y1 Y2 C21 71.53(19) . . . . ?
C1 Y1 Y2 C21 177.4(2) . . . . ?
Si3 Y1 Y2 C21 66.81(14) . . . . ?
O6 Y1 Y2 C25 86.6(2) . . . . ?
O1 Y1 Y2 C25 -74.95(18) . . . . ?
C5 Y1 Y2 C25 173.6(2) . . . . ?
O2 Y1 Y2 C25 -68.6(2) . . . . ?
C1 Y1 Y2 C25 37.2(2) . . . . ?
Si3 Y1 Y2 C25 -73.34(17) . . . . ?
O6 Y1 Y2 O5 -19.93(15) . . . . ?
O1 Y1 Y2 O5 178.54(11) . . . . ?
C5 Y1 Y2 O5 67.09(17) . . . . ?
O2 Y1 Y2 O5 -175.13(15) . . . . ?
C1 Y1 Y2 O5 -69.31(18) . . . . ?
Si3 Y1 Y2 O5 -179.85(9) . . . . ?
O6 Y1 Y2 Si6 -10.34(14) . . . . ?
O1 Y1 Y2 Si6 -171.87(8) . . . . ?
C5 Y1 Y2 Si6 76.69(15) . . . . ?
O2 Y1 Y2 Si6 -165.54(12) . . . . ?
C1 Y1 Y2 Si6 -59.72(17) . . . . ?
Si3 Y1 Y2 Si6 -170.26(4) . . . . ?
O6 Y1 Si3 O3 -103.77(18) . . . . ?
O1 Y1 Si3 O3 86.0(2) . . . . ?
C5 Y1 Si3 O3 4.0(3) . . . . ?
O2 Y1 Si3 O3 -96.7(2) . . . . ?
C1 Y1 Si3 O3 146.0(2) . . . . ?
Y2 Y1 Si3 O3 -91.03(16) . . . . ?
O6 Y1 Si3 O4 86.29(19) . . . . ?
O1 Y1 Si3 O4 -84.0(2) . . . . ?
C5 Y1 Si3 O4 -165.9(3) . . . . ?
O2 Y1 Si3 O4 93.4(2) . . . . ?
C1 Y1 Si3 O4 -24.0(2) . . . . ?
Y2 Y1 Si3 O4 99.03(17) . . . . ?
O6 Y1 Si3 O2 -7.12(17) . . . . ?
O1 Y1 Si3 O2 -177.4(2) . . . . ?
C5 Y1 Si3 O2 100.7(3) . . . . ?
C1 Y1 Si3 O2 -117.4(2) . . . . ?
Y2 Y1 Si3 O2 5.62(15) . . . . ?
O6 Y1 Si3 O1 170.27(16) . . . . ?
C5 Y1 Si3 O1 -82.0(3) . . . . ?
O2 Y1 Si3 O1 177.4(2) . . . . ?
C1 Y1 Si3 O1 60.0(2) . . . . ?
Y2 Y1 Si3 O1 -176.99(14) . . . . ?
O2 Y2 Si6 O8 96.65(18) . . . . ?
O6 Y2 Si6 O8 93.8(2) . . . . ?
C21 Y2 Si6 O8 -155.0(2) . . . . ?
C25 Y2 Si6 O8 -17.5(2) . . . . ?
O5 Y2 Si6 O8 -92.3(2) . . . . ?
Y1 Y2 Si6 O8 106.05(16) . . . . ?
O2 Y2 Si6 O7 -89.64(19) . . . . ?
O6 Y2 Si6 O7 -92.5(2) . . . . ?
C21 Y2 Si6 O7 18.7(3) . . . . ?
C25 Y2 Si6 O7 156.2(2) . . . . ?
O5 Y2 Si6 O7 81.4(2) . . . . ?
Y1 Y2 Si6 O7 -80.25(17) . . . . ?
O2 Y2 Si6 O6 2.82(19) . . . . ?
C21 Y2 Si6 O6 111.1(2) . . . . ?
C25 Y2 Si6 O6 -111.3(2) . . . . ?
O5 Y2 Si6 O6 173.8(2) . . . . ?
Y1 Y2 Si6 O6 12.21(16) . . . . ?
O2 Y2 Si6 O5 -171.00(18) . . . . ?
O6 Y2 Si6 O5 -173.8(2) . . . . ?
C21 Y2 Si6 O5 -62.7(2) . . . . ?
C25 Y2 Si6 O5 74.9(2) . . . . ?
Y1 Y2 Si6 O5 -161.61(16) . . . . ?
O3 Si3 O1 C9 65.8(4) . . . . ?
O4 Si3 O1 C9 -53.8(4) . . . . ?
O2 Si3 O1 C9 -176.6(4) . . . . ?
Y1 Si3 O1 C9 -178.5(4) . . . . ?
O3 Si3 O1 Y1 -115.61(16) . . . . ?
O4 Si3 O1 Y1 124.74(15) . . . . ?
O2 Si3 O1 Y1 1.95(16) . . . . ?
O6 Y1 O1 C9 165.2(3) . . . . ?
C5 Y1 O1 C9 -70.3(4) . . . . ?
O2 Y1 O1 C9 177.1(4) . . . . ?
C1 Y1 O1 C9 48.7(3) . . . . ?
Si3 Y1 O1 C9 178.6(4) . . . . ?
Y2 Y1 O1 C9 -178.6(3) . . . . ?
O6 Y1 O1 Si3 -13.4(2) . . . . ?
C5 Y1 O1 Si3 111.1(2) . . . . ?
O2 Y1 O1 Si3 -1.49(12) . . . . ?
C1 Y1 O1 Si3 -129.94(17) . . . . ?
Y2 Y1 O1 Si3 2.81(13) . . . . ?
O3 Si3 O2 Y2 -51.1(5) . . . . ?
O4 Si3 O2 Y2 79.0(4) . . . . ?
O1 Si3 O2 Y2 -162.7(4) . . . . ?
Y1 Si3 O2 Y2 -160.8(5) . . . . ?
O3 Si3 O2 Y1 109.68(18) . . . . ?
O4 Si3 O2 Y1 -120.25(17) . . . . ?
O1 Si3 O2 Y1 -1.95(16) . . . . ?
O6 Y2 O2 Si3 175.5(4) . . . . ?
C21 Y2 O2 Si3 42.9(4) . . . . ?
C25 Y2 O2 Si3 -69.5(4) . . . . ?
O5 Y2 O2 Si3 167.4(4) . . . . ?
Si6 Y2 O2 Si3 174.1(4) . . . . ?
Y1 Y2 O2 Si3 160.6(5) . . . . ?
O6 Y2 O2 Y1 14.91(11) . . . . ?
C21 Y2 O2 Y1 -117.73(17) . . . . ?
C25 Y2 O2 Y1 129.90(15) . . . . ?
O5 Y2 O2 Y1 6.8(2) . . . . ?
Si6 Y2 O2 Y1 13.45(11) . . . . ?
O6 Y1 O2 Si3 172.79(17) . . . . ?
O1 Y1 O2 Si3 1.56(13) . . . . ?
C5 Y1 O2 Si3 -95.3(2) . . . . ?
C1 Y1 O2 Si3 83.0(2) . . . . ?
Y2 Y1 O2 Si3 -171.4(2) . . . . ?
O6 Y1 O2 Y2 -15.82(11) . . . . ?
O1 Y1 O2 Y2 172.94(16) . . . . ?
C5 Y1 O2 Y2 76.0(2) . . . . ?
C1 Y1 O2 Y2 -105.59(19) . . . . ?
Si3 Y1 O2 Y2 171.4(2) . . . . ?
O4 Si3 O3 C13 -29.3(5) . . . . ?
O2 Si3 O3 C13 104.7(5) . . . . ?
O1 Si3 O3 C13 -150.4(4) . . . . ?
Y1 Si3 O3 C13 158.9(4) . . . . ?
O3 Si3 O4 C17 157.2(4) . . . . ?
O2 Si3 O4 C17 25.0(5) . . . . ?
O1 Si3 O4 C17 -84.6(5) . . . . ?
Y1 Si3 O4 C17 -32.0(5) . . . . ?
O8 Si6 O5 C29 -70.7(4) . . . . ?
O7 Si6 O5 C29 48.7(4) . . . . ?
O6 Si6 O5 C29 167.8(4) . . . . ?
Y2 Si6 O5 C29 172.3(5) . . . . ?
O8 Si6 O5 Y2 116.96(17) . . . . ?
O7 Si6 O5 Y2 -123.59(16) . . . . ?
O6 Si6 O5 Y2 -4.50(18) . . . . ?
O2 Y2 O5 C29 -159.9(4) . . . . ?
O6 Y2 O5 C29 -168.8(4) . . . . ?
C21 Y2 O5 C29 -40.3(4) . . . . ?
C25 Y2 O5 C29 74.4(4) . . . . ?
Si6 Y2 O5 C29 -172.3(5) . . . . ?
Y1 Y2 O5 C29 -155.6(4) . . . . ?
O2 Y2 O5 Si6 12.3(2) . . . . ?
O6 Y2 O5 Si6 3.50(14) . . . . ?
C21 Y2 O5 Si6 132.0(2) . . . . ?
C25 Y2 O5 Si6 -113.33(18) . . . . ?
Y1 Y2 O5 Si6 16.69(15) . . . . ?
O8 Si6 O6 Y1 98.6(3) . . . . ?
O7 Si6 O6 Y1 -29.6(4) . . . . ?
O5 Si6 O6 Y1 -141.7(3) . . . . ?
Y2 Si6 O6 Y1 -146.4(4) . . . . ?
O8 Si6 O6 Y2 -115.00(18) . . . . ?
O7 Si6 O6 Y2 116.80(18) . . . . ?
O5 Si6 O6 Y2 4.71(18) . . . . ?
O1 Y1 O6 Si6 172.4(3) . . . . ?
C5 Y1 O6 Si6 44.9(4) . . . . ?
O2 Y1 O6 Si6 161.4(4) . . . . ?
C1 Y1 O6 Si6 -70.8(3) . . . . ?
Si3 Y1 O6 Si6 165.1(3) . . . . ?
Y2 Y1 O6 Si6 146.1(4) . . . . ?
O1 Y1 O6 Y2 26.3(2) . . . . ?
C5 Y1 O6 Y2 -101.19(19) . . . . ?
O2 Y1 O6 Y2 15.28(11) . . . . ?
C1 Y1 O6 Y2 143.12(16) . . . . ?
Si3 Y1 O6 Y2 19.04(13) . . . . ?
O2 Y2 O6 Si6 -177.14(19) . . . . ?
C21 Y2 O6 Si6 -94.7(2) . . . . ?
C25 Y2 O6 Si6 82.0(2) . . . . ?
O5 Y2 O6 Si6 -3.69(14) . . . . ?
Y1 Y2 O6 Si6 -161.0(2) . . . . ?
O2 Y2 O6 Y1 -16.16(12) . . . . ?
C21 Y2 O6 Y1 66.3(2) . . . . ?
C25 Y2 O6 Y1 -116.99(17) . . . . ?
O5 Y2 O6 Y1 157.29(17) . . . . ?
Si6 Y2 O6 Y1 161.0(2) . . . . ?
O8 Si6 O7 C33 -34.4(5) . . . . ?
O6 Si6 O7 C33 97.5(4) . . . . ?
O5 Si6 O7 C33 -157.3(4) . . . . ?
Y2 Si6 O7 C33 151.0(4) . . . . ?
O7 Si6 O8 C37 161.4(5) . . . . ?
O6 Si6 O8 C37 29.6(6) . . . . ?
O5 Si6 O8 C37 -79.7(5) . . . . ?
Y2 Si6 O8 C37 -23.9(6) . . . . ?
C2 Si1 C1 Y1 111.2(4) . . . . ?
C4 Si1 C1 Y1 -9.0(5) . . . . ?
C3 Si1 C1 Y1 -127.9(4) . . . . ?
O6 Y1 C1 Si1 121.9(4) . . . . ?
O1 Y1 C1 Si1 -98.0(4) . . . . ?
C5 Y1 C1 Si1 17.3(4) . . . . ?
O2 Y1 C1 Si1 -161.1(3) . . . . ?
Si3 Y1 C1 Si1 -125.8(3) . . . . ?
Y2 Y1 C1 Si1 150.7(3) . . . . ?
C7 Si2 C5 Y1 -136.4(7) . . . . ?
C6 Si2 C5 Y1 3.8(7) . . . . ?
C8 Si2 C5 Y1 114.7(6) . . . . ?
O6 Y1 C5 Si2 104.0(5) . . . . ?
O1 Y1 C5 Si2 -39.9(6) . . . . ?
O2 Y1 C5 Si2 27.8(6) . . . . ?
C1 Y1 C5 Si2 -150.8(5) . . . . ?
Si3 Y1 C5 Si2 -6.5(6) . . . . ?
Y2 Y1 C5 Si2 64.9(5) . . . . ?
Si3 O1 C9 C11 84.0(5) . . . . ?
Y1 O1 C9 C11 -94.2(4) . . . . ?
Si3 O1 C9 C10 -156.6(3) . . . . ?
Y1 O1 C9 C10 25.2(5) . . . . ?
Si3 O1 C9 C12 -37.4(6) . . . . ?
Y1 O1 C9 C12 144.4(3) . . . . ?
Si3 O3 C13 C14 88.9(6) . . . . ?
Si3 O3 C13 C15 -152.9(4) . . . . ?
Si3 O3 C13 C16 -32.8(6) . . . . ?
Si3 O4 C17 C19 -97.3(5) . . . . ?
Si3 O4 C17 C20 23.0(6) . . . . ?
Si3 O4 C17 C18 144.8(4) . . . . ?
C23 Si4 C21 Y2 67.4(7) . . . . ?
C22 Si4 C21 Y2 -55.3(7) . . . . ?
C24 Si4 C21 Y2 -174.0(6) . . . . ?
O2 Y2 C21 Si4 142.5(6) . . . . ?
O6 Y2 C21 Si4 69.7(7) . . . . ?
C25 Y2 C21 Si4 -107.2(6) . . . . ?
O5 Y2 C21 Si4 0.9(7) . . . . ?
Si6 Y2 C21 Si4 30.6(7) . . . . ?
Y1 Y2 C21 Si4 105.2(6) . . . . ?
C26 Si5 C25 Y2 -53.6(4) . . . . ?
C27 Si5 C25 Y2 -172.0(3) . . . . ?
C28 Si5 C25 Y2 66.1(4) . . . . ?
O2 Y2 C25 Si5 104.0(3) . . . . ?
O6 Y2 C25 Si5 -176.0(3) . . . . ?
C21 Y2 C25 Si5 1.4(4) . . . . ?
O5 Y2 C25 Si5 -113.3(3) . . . . ?
Si6 Y2 C25 Si5 -144.2(3) . . . . ?
Y1 Y2 C25 Si5 142.2(3) . . . . ?
Si6 O5 C29 C32 -75.7(5) . . . . ?
Y2 O5 C29 C32 94.4(5) . . . . ?
Si6 O5 C29 C30 46.2(6) . . . . ?
Y2 O5 C29 C30 -143.8(4) . . . . ?
Si6 O5 C29 C31 165.3(4) . . . . ?
Y2 O5 C29 C31 -24.7(6) . . . . ?
Si6 O7 C33 C36 -45.2(6) . . . . ?
Si6 O7 C33 C34 77.2(5) . . . . ?
Si6 O7 C33 C35 -164.0(4) . . . . ?
Si6 O8 C37 C38 17.2(7) . . . . ?
Si6 O8 C37 C40 137.2(5) . . . . ?
Si6 O8 C37 C39 -105.3(5) . . . . ?
