#------------------------------------------------------------------------------
#$Date: 2016-03-21 11:03:27 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178678 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/89/4078994.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_4078994
loop_
_publ_author_name
'El Aziz, Youssef'
'Bassindale, Alan R.'
'Taylor, Peter G.'
'Horton, Peter N.'
'Stephenson, Richard A.'
'Hursthouse, Michael B.'
_publ_section_title
;
 Facile Synthesis of Novel Functionalized Silsesquioxane Nanostructures
 Containing an Encapsulated Fluoride Anion
;
_journal_issue                   17
_journal_name_full               Organometallics
_journal_page_first              6032
_journal_paper_doi               10.1021/om300277g
_journal_volume                  31
_journal_year                    2012
_chemical_formula_sum            'C48 H92 F N O28 Si8'
_chemical_formula_weight         1374.95
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.3600(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.5416(2)
_cell_length_b                   14.5201(2)
_cell_length_c                   25.3577(3)
_cell_measurement_reflns_used    15769
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     7043.82(15)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_data_collection       'COLLECT (Hooft, R.W.W., 1998)'
_computing_data_reduction
'DENZO (Otwinowski & Minor, 1997) & COLLECT (Hooft, R.W.W., 1998)'
_computing_molecular_graphics    'ORTEP3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      160(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type
'Bruker-Nonius Roper CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ & ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Bruker-Nonius FR591 rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_sigmaI/netI    0.0232
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            59096
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.94
_exptl_absorpt_coefficient_mu    0.231
_exptl_absorpt_correction_T_max  0.9596
_exptl_absorpt_correction_T_min  0.9011
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2 (Sheldrick, G.M., 2007)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.297
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2928
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.153
_refine_diff_density_min         -0.382
_refine_diff_density_rms         0.059
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         8034
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0487
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0541P)²+12.5706P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1117
_refine_ls_wR_factor_ref         0.1153
_reflns_number_gt                7193
_reflns_number_total             8034
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300277g_si_001.cif
_cod_data_source_block           EY253
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               4078994
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
F1 F 0.7500 0.2500 0.5000 0.0241(3) Uani 1 2 d S
C11 C 0.65915(9) 0.24420(13) 0.30877(7) 0.0239(3) Uani 1 1 d .
H11A H 0.6364 0.1835 0.2973 0.029 Uiso 1 1 calc R
H11B H 0.6223 0.2918 0.2953 0.029 Uiso 1 1 calc R
C12 C 0.71070(10) 0.25856(15) 0.27909(8) 0.0302(4) Uani 1 1 d .
H12A H 0.7295 0.3220 0.2867 0.036 Uiso 1 1 calc R
H12B H 0.7504 0.2155 0.2953 0.036 Uiso 1 1 calc R
C13 C 0.67931(10) 0.24406(14) 0.21598(8) 0.0286(4) Uani 1 1 d .
C14 C 0.69835(14) 0.2556(2) 0.12976(9) 0.0479(6) Uani 1 1 d .
H14A H 0.6830 0.1919 0.1197 0.072 Uiso 1 1 calc R
H14B H 0.7357 0.2704 0.1157 0.072 Uiso 1 1 calc R
H14C H 0.6588 0.2975 0.1126 0.072 Uiso 1 1 calc R
C21 C 0.56360(9) 0.06109(12) 0.44100(7) 0.0225(3) Uani 1 1 d .
H21A H 0.5769 0.0062 0.4240 0.027 Uiso 1 1 calc R
H21B H 0.5542 0.0402 0.4747 0.027 Uiso 1 1 calc R
C22 C 0.49544(10) 0.10039(14) 0.39792(9) 0.0312(4) Uani 1 1 d .
H22A H 0.4761 0.1477 0.4163 0.037 Uiso 1 1 calc R
H22B H 0.5048 0.1298 0.3662 0.037 Uiso 1 1 calc R
C23 C 0.44393(10) 0.02351(15) 0.37604(8) 0.0325(4) Uani 1 1 d .
C24 C 0.34885(15) -0.0570(2) 0.38256(13) 0.0570(7) Uani 1 1 d .
H24A H 0.3261 -0.0590 0.3412 0.085 Uiso 1 1 calc R
H24B H 0.3132 -0.0517 0.3997 0.085 Uiso 1 1 calc R
H24C H 0.3758 -0.1136 0.3959 0.085 Uiso 1 1 calc R
C31 C 0.81317(9) -0.03989(12) 0.56351(7) 0.0224(3) Uani 1 1 d .
H31A H 0.8588 -0.0383 0.5953 0.027 Uiso 1 1 calc R
H31B H 0.7783 -0.0655 0.5780 0.027 Uiso 1 1 calc R
C32 C 0.81872(12) -0.10321(13) 0.51716(8) 0.0321(4) Uani 1 1 d .
H32A H 0.7722 -0.1081 0.4866 0.039 Uiso 1 1 calc R
H32B H 0.8510 -0.0750 0.5007 0.039 Uiso 1 1 calc R
C33 C 0.84445(12) -0.19860(13) 0.53782(8) 0.0307(4) Uani 1 1 d .
C34 C 0.8981(2) -0.33163(18) 0.51908(12) 0.0691(10) Uani 1 1 d .
H34A H 0.9365 -0.3317 0.5560 0.104 Uiso 1 1 calc R
H34B H 0.9148 -0.3563 0.4903 0.104 Uiso 1 1 calc R
H34C H 0.8598 -0.3701 0.5210 0.104 Uiso 1 1 calc R
C41 C 0.91474(11) 0.14445(13) 0.43557(9) 0.0303(4) Uani 1 1 d .
H41A H 0.9134 0.1819 0.4026 0.036 Uiso 1 1 calc R
H41B H 0.9610 0.1540 0.4658 0.036 Uiso 1 1 calc R
C42 C 0.90826(12) 0.04448(16) 0.41860(11) 0.0405(5) Uani 1 1 d .
H42A H 0.8621 0.0349 0.3882 0.049 Uiso 1 1 calc R
H42B H 0.9094 0.0069 0.4515 0.049 Uiso 1 1 calc R
C43 C 0.96432(12) 0.00997(16) 0.39818(10) 0.0380(5) Uani 1 1 d .
C44 C 1.00443(14) -0.1210(2) 0.36486(15) 0.0608(8) Uani 1 1 d .
H44A H 1.0070 -0.0861 0.3326 0.091 Uiso 1 1 calc R
H44B H 0.9900 -0.1844 0.3530 0.091 Uiso 1 1 calc R
H44C H 1.0504 -0.1214 0.3955 0.091 Uiso 1 1 calc R
O1 O 0.64518(6) 0.18605(8) 0.40811(5) 0.0216(2) Uani 1 1 d .
O2 O 0.70479(6) 0.07488(8) 0.49903(5) 0.0215(2) Uani 1 1 d .
O3 O 0.83589(6) 0.10761(8) 0.50224(5) 0.0210(2) Uani 1 1 d .
O4 O 0.77581(6) 0.20625(8) 0.40583(5) 0.0213(2) Uani 1 1 d .
O5 O 0.69775(6) 0.35670(8) 0.40568(5) 0.0213(2) Uani 1 1 d .
O6 O 0.62183(6) 0.21753(8) 0.50479(5) 0.0209(2) Uani 1 1 d .
O11 O 0.62223(9) 0.21432(17) 0.19061(7) 0.0593(6) Uani 1 1 d .
O12 O 0.72440(8) 0.26602(13) 0.19108(6) 0.0424(4) Uani 1 1 d .
O21 O 0.44721(10) -0.03440(17) 0.34354(10) 0.0781(8) Uani 1 1 d .
O22 O 0.39516(8) 0.02165(11) 0.39868(7) 0.0385(3) Uani 1 1 d .
O31 O 0.84005(10) -0.23618(10) 0.57857(7) 0.0474(4) Uani 1 1 d .
O32 O 0.87330(12) -0.23806(11) 0.50420(7) 0.0549(5) Uani 1 1 d .
O41 O 1.01096(9) 0.05727(12) 0.39213(8) 0.0501(4) Uani 1 1 d .
O42 O 0.95466(10) -0.07905(12) 0.38447(9) 0.0551(5) Uani 1 1 d .
Si1 Si 0.69720(2) 0.24878(3) 0.387572(19) 0.01847(11) Uani 1 1 d .
Si2 Si 0.63911(2) 0.14099(3) 0.464778(19) 0.01798(11) Uani 1 1 d .
Si3 Si 0.78742(2) 0.07968(3) 0.538195(19) 0.01744(11) Uani 1 1 d .
Si4 Si 0.84619(2) 0.18807(3) 0.461283(19) 0.01845(11) Uani 1 1 d .
C51 C 0.95355(11) 0.32649(14) 0.20118(8) 0.0304(4) Uani 1 1 d .
H51A H 0.9835 0.3718 0.1916 0.037 Uiso 1 1 calc R
H51B H 0.9320 0.2866 0.1676 0.037 Uiso 1 1 calc R
C52 C 0.89564(11) 0.37836(16) 0.21241(9) 0.0362(5) Uani 1 1 d .
H52A H 0.9156 0.4131 0.2483 0.043 Uiso 1 1 calc R
H52B H 0.8611 0.3339 0.2164 0.043 Uiso 1 1 calc R
C53 C 0.85915(12) 0.44501(16) 0.16405(10) 0.0408(5) Uani 1 1 d .
H53A H 0.8928 0.4927 0.1624 0.049 Uiso 1 1 calc R
H53B H 0.8431 0.4110 0.1277 0.049 Uiso 1 1 calc R
C54 C 0.79689(14) 0.49116(18) 0.17196(14) 0.0563(7) Uani 1 1 d .
H54A H 0.7635 0.4441 0.1735 0.085 Uiso 1 1 calc R
H54B H 0.7742 0.5327 0.1401 0.085 Uiso 1 1 calc R
H54C H 0.8129 0.5264 0.2073 0.085 Uiso 1 1 calc R
C55 C 1.04397(11) 0.20765(15) 0.22654(9) 0.0333(4) Uani 1 1 d .
H55A H 1.0711 0.2487 0.2111 0.040 Uiso 1 1 calc R
H55B H 1.0122 0.1708 0.1947 0.040 Uiso 1 1 calc R
C56 C 1.09432(14) 0.14260(17) 0.26879(10) 0.0452(5) Uani 1 1 d .
H56A H 1.0678 0.0990 0.2834 0.054 Uiso 1 1 calc R
H56B H 1.1262 0.1782 0.3012 0.054 Uiso 1 1 calc R
C57 C 1.13668(14) 0.0894(2) 0.24075(11) 0.0511(6) Uani 1 1 d .
H57A H 1.1044 0.0517 0.2097 0.061 Uiso 1 1 calc R
H57B H 1.1598 0.1339 0.2237 0.061 Uiso 1 1 calc R
C58 C 1.1909(2) 0.0280(3) 0.27990(16) 0.0789(11) Uani 1 1 d .
H58A H 1.2255 0.0652 0.3090 0.118 Uiso 1 1 calc R
H58B H 1.2141 -0.0065 0.2585 0.118 Uiso 1 1 calc R
H58C H 1.1687 -0.0152 0.2979 0.118 Uiso 1 1 calc R
N51 N 1.0000 0.26673(16) 0.2500 0.0274(5) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 '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'
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
C12 C11 Si1 115.49(12) . .
C12 C11 H11A 108.4 . .
Si1 C11 H11A 108.4 . .
C12 C11 H11B 108.4 . .
Si1 C11 H11B 108.4 . .
H11A C11 H11B 107.5 . .
C13 C12 C11 113.63(16) . .
C13 C12 H12A 108.8 . .
C11 C12 H12A 108.8 . .
C13 C12 H12B 108.8 . .
C11 C12 H12B 108.8 . .
H12A C12 H12B 107.7 . .
O11 C13 O12 123.06(17) . .
O11 C13 C12 125.41(18) . .
O12 C13 C12 111.50(16) . .
O12 C14 H14A 109.5 . .
O12 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
O12 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C22 C21 Si2 115.88(13) . .
C22 C21 H21A 108.3 . .
Si2 C21 H21A 108.3 . .
C22 C21 H21B 108.3 . .
Si2 C21 H21B 108.3 . .
H21A C21 H21B 107.4 . .
C23 C22 C21 108.90(16) . .
C23 C22 H22A 109.9 . .
C21 C22 H22A 109.9 . .
C23 C22 H22B 109.9 . .
C21 C22 H22B 109.9 . .
H22A C22 H22B 108.3 . .
O21 C23 O22 121.7(2) . .
O21 C23 C22 124.7(2) . .
O22 C23 C22 113.47(17) . .
O22 C24 H24A 109.5 . .
O22 C24 H24B 109.5 . .
H24A C24 H24B 109.5 . .
O22 C24 H24C 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
C32 C31 Si3 112.80(12) . .
C32 C31 H31A 109.0 . .
Si3 C31 H31A 109.0 . .
C32 C31 H31B 109.0 . .
Si3 C31 H31B 109.0 . .
H31A C31 H31B 107.8 . .
C33 C32 C31 113.60(15) . .
C33 C32 H32A 108.8 . .
C31 C32 H32A 108.8 . .
C33 C32 H32B 108.8 . .
C31 C32 H32B 108.8 . .
H32A C32 H32B 107.7 . .
O31 C33 O32 123.07(18) . .
O31 C33 C32 126.17(18) . .
O32 C33 C32 110.75(16) . .
O32 C34 H34A 109.5 . .
O32 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
O32 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
C42 C41 Si4 115.33(14) . .
C42 C41 H41A 108.4 . .
Si4 C41 H41A 108.4 . .
C42 C41 H41B 108.4 . .
Si4 C41 H41B 108.4 . .
H41A C41 H41B 107.5 . .
C41 C42 C43 114.75(19) . .
C41 C42 H42A 108.6 . .
C43 C42 H42A 108.6 . .
C41 C42 H42B 108.6 . .
C43 C42 H42B 108.6 . .
H42A C42 H42B 107.6 . .
O41 C43 O42 123.8(2) . .
O41 C43 C42 125.6(2) . .
O42 C43 C42 110.55(19) . .
O42 C44 H44A 109.5 . .
O42 C44 H44B 109.5 . .
H44A C44 H44B 109.5 . .
O42 C44 H44C 109.5 . .
H44A C44 H44C 109.5 . .
H44B C44 H44C 109.5 . .
Si2 O1 Si1 141.20(8) . .
Si2 O2 Si3 141.22(8) . .
Si3 O3 Si4 141.69(8) . .
Si4 O4 Si1 141.44(8) . .
Si3 O5 Si1 140.35(8) 7_656 .
Si4 O6 Si2 140.16(8) 7_656 .
C13 O12 C14 115.57(17) . .
C23 O22 C24 114.65(18) . .
C33 O32 C34 115.61(18) . .
C43 O42 C44 116.6(2) . .
O1 Si1 O4 113.26(7) . .
O1 Si1 O5 112.68(7) . .
O4 Si1 O5 112.28(7) . .
O1 Si1 C11 104.80(7) . .
O4 Si1 C11 106.04(7) . .
O5 Si1 C11 107.06(7) . .
O1 Si2 O2 113.22(7) . .
O1 Si2 O6 112.37(7) . .
O2 Si2 O6 113.39(7) . .
O1 Si2 C21 106.80(7) . .
O2 Si2 C21 103.74(7) . .
O6 Si2 C21 106.46(7) . .
O2 Si3 O3 112.59(6) . .
O2 Si3 O5 112.29(7) . 7_656
O3 Si3 O5 112.95(7) . 7_656
O2 Si3 C31 105.85(7) . .
O3 Si3 C31 105.71(7) . .
O5 Si3 C31 106.77(7) 7_656 .
O6 Si4 O3 112.90(7) 7_656 .
O6 Si4 O4 112.38(7) 7_656 .
O3 Si4 O4 112.72(7) . .
O6 Si4 C41 105.11(8) 7_656 .
O3 Si4 C41 105.64(8) . .
O4 Si4 C41 107.39(8) . .
C52 C51 N51 115.45(14) . .
C52 C51 H51A 108.4 . .
N51 C51 H51A 108.4 . .
C52 C51 H51B 108.4 . .
N51 C51 H51B 108.4 . .
H51A C51 H51B 107.5 . .
C51 C52 C53 110.62(18) . .
C51 C52 H52A 109.5 . .
C53 C52 H52A 109.5 . .
C51 C52 H52B 109.5 . .
C53 C52 H52B 109.5 . .
H52A C52 H52B 108.1 . .
C54 C53 C52 111.3(2) . .
C54 C53 H53A 109.4 . .
C52 C53 H53A 109.4 . .
C54 C53 H53B 109.4 . .
C52 C53 H53B 109.4 . .
H53A C53 H53B 108.0 . .
C53 C54 H54A 109.5 . .
C53 C54 H54B 109.5 . .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 . .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
N51 C55 C56 115.19(16) . .
N51 C55 H55A 108.5 . .
C56 C55 H55A 108.5 . .
N51 C55 H55B 108.5 . .
C56 C55 H55B 108.5 . .
H55A C55 H55B 107.5 . .
C55 C56 C57 110.20(19) . .
C55 C56 H56A 109.6 . .
C57 C56 H56A 109.6 . .
C55 C56 H56B 109.6 . .
C57 C56 H56B 109.6 . .
H56A C56 H56B 108.1 . .
C58 C57 C56 114.1(2) . .
C58 C57 H57A 108.7 . .
C56 C57 H57A 108.7 . .
C58 C57 H57B 108.7 . .
C56 C57 H57B 108.7 . .
H57A C57 H57B 107.6 . .
C57 C58 H58A 109.5 . .
C57 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C57 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C55 N51 C55 111.1(2) 2_755 .
C55 N51 C51 106.79(11) 2_755 2_755
C55 N51 C51 110.73(11) . 2_755
C55 N51 C51 110.73(11) 2_755 .
C55 N51 C51 106.79(11) . .
C51 N51 C51 110.8(2) 2_755 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C11 C12 1.521(2) .
C11 Si1 1.8629(17) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 C13 1.506(2) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C13 O11 1.194(2) .
C13 O12 1.336(2) .
C14 O12 1.456(2) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C21 C22 1.538(2) .
C21 Si2 1.8533(17) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.499(3) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 O21 1.196(3) .
C23 O22 1.324(2) .
C24 O22 1.447(3) .
C24 H24A 0.9800 .
C24 H24B 0.9800 .
C24 H24C 0.9800 .
C31 C32 1.529(2) .
C31 Si3 1.8598(17) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 C33 1.507(2) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 O31 1.201(2) .
C33 O32 1.332(2) .
C34 O32 1.452(3) .
C34 H34A 0.9800 .
C34 H34B 0.9800 .
C34 H34C 0.9800 .
C41 C42 1.506(3) .
C41 Si4 1.8649(19) .
C41 H41A 0.9900 .
C41 H41B 0.9900 .
C42 C43 1.510(3) .
C42 H42A 0.9900 .
C42 H42B 0.9900 .
C43 O41 1.233(3) .
C43 O42 1.334(3) .
C44 O42 1.426(3) .
C44 H44A 0.9800 .
C44 H44B 0.9800 .
C44 H44C 0.9800 .
O1 Si2 1.6246(12) .
O1 Si1 1.6272(13) .
O2 Si2 1.6256(12) .
O2 Si3 1.6260(12) .
O3 Si3 1.6274(12) .
O3 Si4 1.6275(12) .
O4 Si4 1.6299(13) .
O4 Si1 1.6305(13) .
O5 Si3 1.6296(12) 7_656
O5 Si1 1.6317(12) .
O6 Si4 1.6244(13) 7_656
O6 Si2 1.6287(13) .
Si3 O5 1.6296(12) 7_656
Si4 O6 1.6244(13) 7_656
C51 C52 1.520(3) .
C51 N51 1.528(2) .
C51 H51A 0.9900 .
C51 H51B 0.9900 .
C52 C53 1.527(3) .
C52 H52A 0.9900 .
C52 H52B 0.9900 .
C53 C54 1.520(4) .
C53 H53A 0.9900 .
C53 H53B 0.9900 .
C54 H54A 0.9800 .
C54 H54B 0.9800 .
C54 H54C 0.9800 .
C55 N51 1.516(2) .
C55 C56 1.517(3) .
C55 H55A 0.9900 .
C55 H55B 0.9900 .
C56 C57 1.520(3) .
C56 H56A 0.9900 .
C56 H56B 0.9900 .
C57 C58 1.488(4) .
C57 H57A 0.9900 .
C57 H57B 0.9900 .
C58 H58A 0.9800 .
C58 H58B 0.9800 .
C58 H58C 0.9800 .
N51 C55 1.516(2) 2_755
N51 C51 1.528(2) 2_755
