#------------------------------------------------------------------------------
#$Date: 2016-03-21 17:02:13 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178765 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/19/4101952.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_4101952
loop_
_publ_author_name
'Yuetao Zhang'
'Yalan Ning'
'Lucia Caporaso'
'Luigi Cavallo'
'Eugene Y.-X. Chen'
_publ_section_title
;
 Catalyst-Site-Controlled Coordination Polymerization of Polar Vinyl
 Monomers to Highly Syndiotactic Polymers
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              2695
_journal_page_last               2709
_journal_paper_doi               10.1021/ja908818y
_journal_volume                  132
_journal_year                    2010
_chemical_formula_sum            'C34 H44 O4 Si Zr'
_chemical_formula_weight         636.00
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.664(2)
_cell_angle_beta                 111.403(2)
_cell_angle_gamma                113.539(2)
_cell_formula_units_Z            2
_cell_length_a                   10.8310(4)
_cell_length_b                   12.4790(4)
_cell_length_c                   14.1278(5)
_cell_measurement_reflns_used    9826
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      35.54
_cell_measurement_theta_min      2.34
_cell_volume                     1601.97(11)
_computing_cell_refinement       'APEX2 (Bruker, 2009)'
_computing_data_collection       'APEX2 (Bruker, 2009)'
_computing_data_reduction        'APEX2 (Bruker, 2009)'
_computing_molecular_graphics    'APEX2 (Bruker, 2009)'
_computing_publication_material  'APEX2 (Bruker, 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.953
_diffrn_measured_fraction_theta_max 0.953
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD diffractometer'
_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  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            50655
_diffrn_reflns_theta_full        35.61
_diffrn_reflns_theta_max         35.61
_diffrn_reflns_theta_min         2.16
_exptl_absorpt_coefficient_mu    0.416
_exptl_absorpt_correction_T_max  0.9636
_exptl_absorpt_correction_T_min  0.7625
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Sheldrick, G. M. (2008) SADABS. University of Göttingen, Germany.'
_exptl_crystal_colour            'clear yellow'
_exptl_crystal_density_diffrn    1.319
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             668
_exptl_crystal_size_max          0.69
_exptl_crystal_size_mid          0.56
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.598
_refine_diff_density_min         -0.397
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         14065
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0299
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0357P)²+0.5440P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0737
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                12063
_reflns_number_total             14065
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja908818y_si_003.cif
_cod_data_source_block           ec55p1bar
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        1601.96(10)
_cod_database_code               4101952
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Zr1 Zr 0.889650(10) 0.290033(8) 0.235449(7) 0.01197(3) Uani 1 1 d . . .
Si1 Si 0.54733(3) 0.09823(3) 0.19155(2) 0.01670(6) Uani 1 1 d . . .
O1 O 0.94135(8) 0.44980(7) 0.19562(6) 0.01559(13) Uani 1 1 d . . .
O2 O 0.90700(9) 0.61530(7) 0.15179(6) 0.01876(15) Uani 1 1 d . . .
O3 O 1.08167(8) 0.28415(7) 0.29222(6) 0.01674(14) Uani 1 1 d . . .
O4 O 1.23807(9) 0.28294(7) 0.45301(6) 0.01783(14) Uani 1 1 d . . .
C1 C 0.88642(13) 0.40209(10) 0.38432(8) 0.01791(19) Uani 1 1 d . . .
H1A H 0.9393 0.4901 0.4091 0.021 Uiso 1 1 calc R . .
C2 C 0.93783(13) 0.31857(10) 0.42613(8) 0.01860(19) Uani 1 1 d . . .
H2A H 1.0336 0.3371 0.4853 0.022 Uiso 1 1 calc R . .
C3 C 0.82306(13) 0.20358(10) 0.37772(8) 0.01818(19) Uani 1 1 d . . .
H3A H 0.8245 0.1276 0.3986 0.022 Uiso 1 1 calc R . .
C4 C 0.69629(12) 0.21422(10) 0.30632(8) 0.01657(18) Uani 1 1 d . . .
C5 C 0.73936(12) 0.33865(10) 0.31074(8) 0.01673(18) Uani 1 1 d . . .
H5A H 0.6715 0.3754 0.2763 0.020 Uiso 1 1 calc R . .
C6 C 0.81709(12) 0.21599(10) 0.03128(8) 0.01573(17) Uani 1 1 d . . .
C7 C 0.68783(11) 0.20156(9) 0.04684(8) 0.01463(17) Uani 1 1 d . . .
C8 C 0.66144(11) 0.11722(9) 0.11526(8) 0.01432(17) Uani 1 1 d . . .
C9 C 0.77256(12) 0.07343(9) 0.13376(8) 0.01512(17) Uani 1 1 d . . .
C10 C 0.86811(11) 0.13384(9) 0.08372(8) 0.01554(17) Uani 1 1 d . . .
C11 C 0.98550(13) 0.10703(11) 0.09045(9) 0.0206(2) Uani 1 1 d . . .
H11A H 1.0479 0.1468 0.0568 0.025 Uiso 1 1 calc R . .
C12 C 1.00798(14) 0.02222(11) 0.14670(10) 0.0247(2) Uani 1 1 d . . .
H12A H 1.0864 0.0031 0.1515 0.030 Uiso 1 1 calc R . .
C13 C 0.91599(14) -0.03658(11) 0.19728(10) 0.0242(2) Uani 1 1 d . . .
H13A H 0.9342 -0.0945 0.2358 0.029 Uiso 1 1 calc R . .
C14 C 0.80063(13) -0.01247(10) 0.19235(9) 0.0196(2) Uani 1 1 d . . .
H14A H 0.7406 -0.0526 0.2276 0.023 Uiso 1 1 calc R . .
C15 C 0.61060(13) 0.26783(10) -0.00365(9) 0.01890(19) Uani 1 1 d . . .
H15A H 0.5231 0.2586 0.0034 0.023 Uiso 1 1 calc R . .
C16 C 0.66387(14) 0.34531(11) -0.06269(9) 0.0229(2) Uani 1 1 d . . .
H16A H 0.6115 0.3889 -0.0968 0.027 Uiso 1 1 calc R . .
C17 C 0.79428(15) 0.36201(11) -0.07420(9) 0.0235(2) Uani 1 1 d . . .
H17A H 0.8300 0.4185 -0.1135 0.028 Uiso 1 1 calc R . .
C18 C 0.86997(13) 0.29720(10) -0.02912(9) 0.0202(2) Uani 1 1 d . . .
H18A H 0.9561 0.3069 -0.0384 0.024 Uiso 1 1 calc R . .
C19 C 0.98823(11) 0.56775(9) 0.22200(8) 0.01496(17) Uani 1 1 d . . .
C20 C 1.10965(12) 0.64036(9) 0.30330(9) 0.01715(18) Uani 1 1 d . . .
C21 C 1.21669(13) 0.59954(11) 0.37464(10) 0.0222(2) Uani 1 1 d . . .
H21A H 1.1801 0.5136 0.3542 0.033 Uiso 1 1 calc R . .
H21B H 1.2275 0.6174 0.4457 0.033 Uiso 1 1 calc R . .
H21C H 1.3124 0.6409 0.3707 0.033 Uiso 1 1 calc R . .
C22 C 1.15176(14) 0.77135(10) 0.32613(11) 0.0252(2) Uani 1 1 d . . .
H22A H 1.0755 0.7896 0.2761 0.038 Uiso 1 1 calc R . .
H22B H 1.2459 0.8169 0.3209 0.038 Uiso 1 1 calc R . .
H22C H 1.1613 0.7928 0.3962 0.038 Uiso 1 1 calc R . .
C23 C 0.75530(12) 0.57468(10) 0.13666(9) 0.01823(19) Uani 1 1 d . . .
H23A H 0.7043 0.4859 0.1190 0.022 Uiso 1 1 calc R . .
C24 C 0.69038(15) 0.62652(12) 0.04479(11) 0.0279(3) Uani 1 1 d . . .
H24A H 0.7011 0.5979 -0.0153 0.042 Uiso 1 1 calc R . .
H24B H 0.7424 0.7135 0.0618 0.042 Uiso 1 1 calc R . .
H24C H 0.5858 0.6016 0.0287 0.042 Uiso 1 1 calc R . .
C25 C 0.74325(15) 0.61687(11) 0.23260(11) 0.0253(2) Uani 1 1 d . . .
H25A H 0.7869 0.5822 0.2900 0.038 Uiso 1 1 calc R . .
H25B H 0.6394 0.5919 0.2190 0.038 Uiso 1 1 calc R . .
H25C H 0.7957 0.7038 0.2508 0.038 Uiso 1 1 calc R . .
C26 C 1.22174(11) 0.31313(9) 0.35708(8) 0.01514(17) Uani 1 1 d . . .
C27 C 1.18001(16) 0.15641(11) 0.45319(10) 0.0254(2) Uani 1 1 d . . .
H27A H 1.0780 0.1156 0.3981 0.031 Uiso 1 1 calc R . .
C28 C 1.1744(2) 0.14399(14) 0.55836(12) 0.0379(3) Uani 1 1 d . . .
H28A H 1.1111 0.1780 0.5671 0.057 Uiso 1 1 calc R . .
H28B H 1.2740 0.1863 0.6126 0.057 Uiso 1 1 calc R . .
H28C H 1.1347 0.0596 0.5633 0.057 Uiso 1 1 calc R . .
C29 C 1.2760(2) 0.10556(14) 0.43338(14) 0.0418(4) Uani 1 1 d . . .
H29A H 1.2745 0.1147 0.3642 0.063 Uiso 1 1 calc R . .
H29B H 1.2385 0.0210 0.4378 0.063 Uiso 1 1 calc R . .
H29C H 1.3772 0.1481 0.4853 0.063 Uiso 1 1 calc R . .
C30 C 1.33740(12) 0.37146(10) 0.33396(9) 0.01851(19) Uani 1 1 d . . .
C31 C 1.49242(14) 0.39992(14) 0.40770(11) 0.0290(3) Uani 1 1 d . . .
H31A H 1.4912 0.3685 0.4708 0.044 Uiso 1 1 calc R . .
H31B H 1.5514 0.4863 0.4254 0.044 Uiso 1 1 calc R . .
H31C H 1.5355 0.3635 0.3750 0.044 Uiso 1 1 calc R . .
C32 C 1.31951(15) 0.41390(13) 0.23308(10) 0.0265(2) Uani 1 1 d . . .
H32A H 1.2149 0.3902 0.1912 0.040 Uiso 1 1 calc R . .
H32B H 1.3588 0.3785 0.1958 0.040 Uiso 1 1 calc R . .
H32C H 1.3732 0.5008 0.2462 0.040 Uiso 1 1 calc R . .
C33 C 0.48087(16) -0.04830(11) 0.23158(11) 0.0278(3) Uani 1 1 d . . .
H33A H 0.4026 -0.1086 0.1712 0.042 Uiso 1 1 calc R . .
H33B H 0.4424 -0.0432 0.2836 0.042 Uiso 1 1 calc R . .
H33C H 0.5625 -0.0704 0.2611 0.042 Uiso 1 1 calc R . .
C34 C 0.39288(14) 0.14089(13) 0.13241(10) 0.0268(2) Uani 1 1 d . . .
H34A H 0.3150 0.0800 0.0723 0.040 Uiso 1 1 calc R . .
H34B H 0.4290 0.2175 0.1104 0.040 Uiso 1 1 calc R . .
H34C H 0.3535 0.1476 0.1834 0.040 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'
Zr Zr -2.9673 0.5597 '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
O3 Zr1 O1 102.19(3) . . ?
O3 Zr1 C5 135.00(3) . . ?
O1 Zr1 C5 86.67(3) . . ?
O3 Zr1 C3 92.76(4) . . ?
O1 Zr1 C3 134.54(3) . . ?
C5 Zr1 C3 54.45(4) . . ?
O3 Zr1 C8 121.83(3) . . ?
O1 Zr1 C8 119.01(3) . . ?
C5 Zr1 C8 89.12(3) . . ?
C3 Zr1 C8 86.27(4) . . ?
O3 Zr1 C4 126.01(3) . . ?
O1 Zr1 C4 118.89(3) . . ?
C5 Zr1 C4 33.20(3) . . ?
C3 Zr1 C4 33.40(4) . . ?
C8 Zr1 C4 67.49(3) . . ?
O3 Zr1 C1 104.50(3) . . ?
O1 Zr1 C1 80.60(3) . . ?
C5 Zr1 C1 32.80(4) . . ?
C3 Zr1 C1 54.03(4) . . ?
C8 Zr1 C1 120.36(3) . . ?
C4 Zr1 C1 54.89(4) . . ?
O3 Zr1 C2 81.49(3) . . ?
O1 Zr1 C2 107.37(3) . . ?
C5 Zr1 C2 54.05(4) . . ?
C3 Zr1 C2 32.65(4) . . ?
C8 Zr1 C2 118.24(4) . . ?
C4 Zr1 C2 54.88(4) . . ?
C1 Zr1 C2 32.24(4) . . ?
O3 Zr1 C9 88.86(3) . . ?
O1 Zr1 C9 134.21(3) . . ?
C5 Zr1 C9 116.23(3) . . ?
C3 Zr1 C9 88.10(3) . . ?
C8 Zr1 C9 32.98(3) . . ?
C4 Zr1 C9 86.35(3) . . ?
C1 Zr1 C9 139.72(4) . . ?
C2 Zr1 C9 118.23(4) . . ?
O3 Zr1 C7 126.67(3) . . ?
O1 Zr1 C7 87.67(3) . . ?
C5 Zr1 C7 97.38(3) . . ?
C3 Zr1 C7 116.92(4) . . ?
C8 Zr1 C7 32.88(3) . . ?
C4 Zr1 C7 90.43(3) . . ?
C1 Zr1 C7 128.82(3) . . ?
C2 Zr1 C7 145.31(3) . . ?
C9 Zr1 C7 52.25(3) . . ?
O3 Zr1 C6 97.57(3) . . ?
O1 Zr1 C6 83.03(3) . . ?
C5 Zr1 C6 127.40(3) . . ?
C3 Zr1 C6 137.57(4) . . ?
C8 Zr1 C6 53.52(3) . . ?
C4 Zr1 C6 119.55(3) . . ?
C1 Zr1 C6 154.81(3) . . ?
C2 Zr1 C6 169.54(3) . . ?
C9 Zr1 C6 51.32(3) . . ?
C7 Zr1 C6 31.03(3) . . ?
O3 Zr1 C10 76.58(3) . . ?
O1 Zr1 C10 108.68(3) . . ?
C5 Zr1 C10 142.35(3) . . ?
C3 Zr1 C10 116.53(3) . . ?
C8 Zr1 C10 53.26(3) . . ?
C4 Zr1 C10 116.55(3) . . ?
C1 Zr1 C10 170.35(3) . . ?
C2 Zr1 C10 140.87(3) . . ?
C9 Zr1 C10 30.85(3) . . ?
C7 Zr1 C10 51.03(3) . . ?
C6 Zr1 C10 30.38(3) . . ?
C33 Si1 C34 110.35(7) . . ?
C33 Si1 C8 116.06(5) . . ?
C34 Si1 C8 113.99(5) . . ?
C33 Si1 C4 109.83(6) . . ?
C34 Si1 C4 109.64(6) . . ?
C8 Si1 C4 95.93(5) . . ?
C19 O1 Zr1 149.16(7) . . ?
C19 O2 C23 116.91(8) . . ?
C26 O3 Zr1 158.43(7) . . ?
C26 O4 C27 114.88(9) . . ?
C2 C1 C5 107.96(10) . . ?
C2 C1 Zr1 74.30(6) . . ?
C5 C1 Zr1 71.92(6) . . ?
C1 C2 C3 107.80(10) . . ?
C1 C2 Zr1 73.46(6) . . ?
C3 C2 Zr1 71.76(6) . . ?
C2 C3 C4 109.24(10) . . ?
C2 C3 Zr1 75.59(6) . . ?
C4 C3 Zr1 73.63(6) . . ?
C5 C4 C3 105.62(10) . . ?
C5 C4 Si1 123.95(8) . . ?
C3 C4 Si1 124.75(8) . . ?
C5 C4 Zr1 72.89(6) . . ?
C3 C4 Zr1 72.98(6) . . ?
Si1 C4 Zr1 98.03(4) . . ?
C1 C5 C4 109.35(10) . . ?
C1 C5 Zr1 75.28(6) . . ?
C4 C5 Zr1 73.92(6) . . ?
C18 C6 C7 121.15(10) . . ?
C18 C6 C10 131.36(10) . . ?
C7 C6 C10 107.46(9) . . ?
C18 C6 Zr1 120.91(7) . . ?
C7 C6 Zr1 69.85(6) . . ?
C10 C6 Zr1 75.70(6) . . ?
C15 C7 C6 118.23(10) . . ?
C15 C7 C8 131.75(9) . . ?
C6 C7 C8 110.03(9) . . ?
C15 C7 Zr1 118.97(7) . . ?
C6 C7 Zr1 79.12(6) . . ?
C8 C7 Zr1 69.02(6) . . ?
C7 C8 C9 104.80(8) . . ?
C7 C8 Si1 127.79(7) . . ?
C9 C8 Si1 125.56(8) . . ?
C7 C8 Zr1 78.10(6) . . ?
C9 C8 Zr1 77.83(6) . . ?
Si1 C8 Zr1 98.21(4) . . ?
C14 C9 C10 118.58(9) . . ?
C14 C9 C8 131.31(10) . . ?
C10 C9 C8 110.09(9) . . ?
C14 C9 Zr1 116.51(7) . . ?
C10 C9 Zr1 80.33(6) . . ?
C8 C9 Zr1 69.20(6) . . ?
C11 C10 C9 120.91(10) . . ?
C11 C10 C6 131.67(10) . . ?
C9 C10 C6 107.42(8) . . ?
C11 C10 Zr1 122.75(7) . . ?
C9 C10 Zr1 68.82(5) . . ?
C6 C10 Zr1 73.92(6) . . ?
C12 C11 C10 118.82(11) . . ?
C11 C12 C13 120.76(10) . . ?
C14 C13 C12 121.89(11) . . ?
C13 C14 C9 119.03(11) . . ?
C16 C15 C7 119.28(10) . . ?
C15 C16 C17 121.91(11) . . ?
C18 C17 C16 120.64(11) . . ?
C17 C18 C6 118.71(10) . . ?
C20 C19 O1 125.90(9) . . ?
C20 C19 O2 119.33(9) . . ?
O1 C19 O2 114.52(9) . . ?
C19 C20 C21 123.06(10) . . ?
C19 C20 C22 121.61(10) . . ?
C21 C20 C22 115.26(10) . . ?
O2 C23 C25 111.15(10) . . ?
O2 C23 C24 104.47(10) . . ?
C25 C23 C24 111.93(10) . . ?
C30 C26 O3 123.74(10) . . ?
C30 C26 O4 121.80(10) . . ?
O3 C26 O4 114.38(9) . . ?
O4 C27 C28 105.26(10) . . ?
O4 C27 C29 110.63(12) . . ?
C28 C27 C29 112.80(12) . . ?
C26 C30 C32 121.39(10) . . ?
C26 C30 C31 122.23(11) . . ?
C32 C30 C31 116.38(11) . . ?
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
Zr1 O3 1.9698(7) . ?
Zr1 O1 1.9923(8) . ?
Zr1 C5 2.4874(10) . ?
Zr1 C3 2.4922(11) . ?
Zr1 C8 2.4975(10) . ?
Zr1 C4 2.5007(10) . ?
Zr1 C1 2.5308(10) . ?
Zr1 C2 2.5416(11) . ?
Zr1 C9 2.6117(10) . ?
Zr1 C7 2.6173(10) . ?
Zr1 C6 2.7378(10) . ?
Zr1 C10 2.7611(10) . ?
Si1 C33 1.8577(13) . ?
Si1 C34 1.8660(13) . ?
Si1 C8 1.8681(10) . ?
Si1 C4 1.8704(11) . ?
O1 C19 1.3474(12) . ?
O2 C19 1.3798(12) . ?
O2 C23 1.4416(13) . ?
O3 C26 1.3459(12) . ?
O4 C26 1.3784(13) . ?
O4 C27 1.4480(14) . ?
C1 C2 1.4082(16) . ?
C1 C5 1.4176(16) . ?
C2 C3 1.4157(16) . ?
C3 C4 1.4347(16) . ?
C4 C5 1.4250(15) . ?
C6 C18 1.4129(16) . ?
C6 C7 1.4369(14) . ?
C6 C10 1.4411(15) . ?
C7 C15 1.4224(15) . ?
C7 C8 1.4521(15) . ?
C8 C9 1.4542(14) . ?
C9 C14 1.4226(15) . ?
C9 C10 1.4361(15) . ?
C10 C11 1.4107(14) . ?
C11 C12 1.3765(18) . ?
C12 C13 1.4106(19) . ?
C13 C14 1.3762(16) . ?
C15 C16 1.3739(17) . ?
C16 C17 1.4135(18) . ?
C17 C18 1.3755(17) . ?
C19 C20 1.3384(16) . ?
C20 C21 1.5000(15) . ?
C20 C22 1.5063(16) . ?
C23 C25 1.5163(17) . ?
C23 C24 1.5213(16) . ?
C26 C30 1.3348(15) . ?
C27 C28 1.5161(19) . ?
C27 C29 1.516(2) . ?
C30 C32 1.4990(17) . ?
C30 C31 1.5063(16) . ?
