#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:44:51 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180234 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/20/7112010.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_7112010
loop_
_publ_author_name
'Valeri Leich'
'Thomas P. Spaniol'
'Laurent Maron'
'Jun Okuda'
_publ_section_title
;
 Hydrosilylation catalysis by an earth alkaline metal silyl: synthesis,
 characterization, and reactivity of bis(triphenylsilyl)calcium
;
_journal_name_full               Chem.Commun.
_journal_page_first              2311
_journal_paper_doi               10.1039/c3cc49308c
_journal_volume                  50
_journal_year                    2014
_chemical_formula_moiety         'C52 H62 Ca O4 Si2'
_chemical_formula_sum            'C52 H62 Ca O4 Si2'
_chemical_formula_weight         847.28
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 105.746(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.1370(10)
_cell_length_b                   11.833(2)
_cell_length_c                   20.015(2)
_cell_measurement_reflns_used    1076
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      18.42
_cell_measurement_theta_min      2.54
_cell_volume                     2310.7(5)
_computing_cell_refinement       'Bruker SMART (2001)'
_computing_data_collection       'Bruker SMART (2001)'
_computing_data_reduction        'Bruker SAINT+ (1999)'
_computing_molecular_graphics    'ORTEP-III (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR-92 (Altomare 1992)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-I CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  multilayer
_diffrn_radiation_source         microsource
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1203
_diffrn_reflns_av_sigmaI/netI    0.0834
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            27383
_diffrn_reflns_theta_full        26.43
_diffrn_reflns_theta_max         26.43
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    0.232
_exptl_absorpt_correction_T_max  0.9750
_exptl_absorpt_correction_T_min  0.9595
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker Sadabs'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.218
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             908
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.426
_refine_diff_density_min         -0.289
_refine_diff_density_rms         0.061
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         4740
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0932
_refine_ls_R_factor_gt           0.0545
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0335P)²+0.7854P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1020
_refine_ls_wR_factor_ref         0.1183
_reflns_number_gt                3205
_reflns_number_total             4740
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc49308c.txt
_cod_data_source_block           2a
_cod_database_code               7112010
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ca1 Ca 1.0000 0.0000 0.0000 0.01846(19) Uani 1 2 d S
Si1 Si 0.82586(8) -0.15886(6) -0.11746(4) 0.01982(18) Uani 1 1 d .
O1 O 0.83651(18) -0.03212(16) 0.06766(9) 0.0280(5) Uani 1 1 d .
O2 O 1.1249(2) -0.16515(16) 0.04791(9) 0.0295(5) Uani 1 1 d .
C1 C 0.7015(3) -0.2441(2) -0.08056(13) 0.0203(6) Uani 1 1 d .
C2 C 0.5587(3) -0.2378(2) -0.10620(14) 0.0229(6) Uani 1 1 d .
H2 H 0.5203 -0.1956 -0.1472 0.028 Uiso 1 1 calc R
C3 C 0.4720(3) -0.2913(2) -0.07349(14) 0.0273(7) Uani 1 1 d .
H3 H 0.3755 -0.2842 -0.0918 0.033 Uiso 1 1 calc R
C4 C 0.5243(3) -0.3546(2) -0.01453(15) 0.0303(7) Uani 1 1 d .
H4 H 0.4644 -0.3916 0.0076 0.036 Uiso 1 1 calc R
C5 C 0.6651(3) -0.3642(3) 0.01230(15) 0.0324(7) Uani 1 1 d .
H5 H 0.7024 -0.4083 0.0527 0.039 Uiso 1 1 calc R
C6 C 0.7506(3) -0.3089(2) -0.02013(14) 0.0265(7) Uani 1 1 d .
H6 H 0.8469 -0.3150 -0.0007 0.032 Uiso 1 1 calc R
C7 C 0.7037(3) -0.1003(2) -0.20040(13) 0.0212(6) Uani 1 1 d .
C8 C 0.6380(3) 0.0024(2) -0.19841(14) 0.0259(6) Uani 1 1 d .
H8 H 0.6602 0.0439 -0.1562 0.031 Uiso 1 1 calc R
C9 C 0.5412(3) 0.0469(3) -0.25560(15) 0.0314(7) Uani 1 1 d .
H9 H 0.4988 0.1175 -0.2523 0.038 Uiso 1 1 calc R
C10 C 0.5079(3) -0.0129(3) -0.31701(16) 0.0322(7) Uani 1 1 d .
H10 H 0.4418 0.0162 -0.3564 0.039 Uiso 1 1 calc R
C11 C 0.5708(3) -0.1151(3) -0.32114(14) 0.0300(7) Uani 1 1 d .
H11 H 0.5479 -0.1564 -0.3635 0.036 Uiso 1 1 calc R
C12 C 0.6675(3) -0.1579(2) -0.26375(14) 0.0264(7) Uani 1 1 d .
H12 H 0.7102 -0.2281 -0.2676 0.032 Uiso 1 1 calc R
C13 C 0.9284(3) -0.2716(2) -0.15103(13) 0.0204(6) Uani 1 1 d .
C14 C 0.9388(3) -0.3851(2) -0.13110(16) 0.0315(7) Uani 1 1 d .
H14 H 0.8801 -0.4135 -0.1052 0.038 Uiso 1 1 calc R
C15 C 1.0327(3) -0.4576(3) -0.14818(16) 0.0368(8) Uani 1 1 d .
H15 H 1.0374 -0.5342 -0.1335 0.044 Uiso 1 1 calc R
C16 C 1.1185(3) -0.4201(3) -0.18596(15) 0.0343(8) Uani 1 1 d .
H16 H 1.1838 -0.4694 -0.1967 0.041 Uiso 1 1 calc R
C17 C 1.1080(3) -0.3101(3) -0.20777(15) 0.0339(7) Uani 1 1 d .
H17 H 1.1655 -0.2831 -0.2347 0.041 Uiso 1 1 calc R
C18 C 1.0143(3) -0.2376(2) -0.19115(14) 0.0280(7) Uani 1 1 d .
H18 H 1.0085 -0.1620 -0.2077 0.034 Uiso 1 1 calc R
C19 C 0.6880(3) -0.0268(3) 0.03934(15) 0.0327(7) Uani 1 1 d .
H19A H 0.6563 -0.0859 0.0036 0.039 Uiso 1 1 calc R
H19B H 0.6602 0.0479 0.0179 0.039 Uiso 1 1 calc R
C20 C 0.6274(3) -0.0458(3) 0.09938(16) 0.0423(9) Uani 1 1 d .
H20A H 0.6033 -0.1263 0.1029 0.051 Uiso 1 1 calc R
H20B H 0.5447 0.0012 0.0949 0.051 Uiso 1 1 calc R
C21 C 0.7432(3) -0.0097(3) 0.16162(17) 0.0491(10) Uani 1 1 d .
H21A H 0.7463 0.0735 0.1673 0.059 Uiso 1 1 calc R
H21B H 0.7345 -0.0453 0.2050 0.059 Uiso 1 1 calc R
C22 C 0.8647(3) -0.0523(3) 0.14194(15) 0.0376(8) Uani 1 1 d .
H22A H 0.9482 -0.0114 0.1676 0.045 Uiso 1 1 calc R
H22B H 0.8779 -0.1340 0.1523 0.045 Uiso 1 1 calc R
C23 C 1.1130(3) -0.2128(3) 0.11306(15) 0.0325(7) Uani 1 1 d .
H23A H 1.0176 -0.2369 0.1088 0.039 Uiso 1 1 calc R
H23B H 1.1401 -0.1565 0.1509 0.039 Uiso 1 1 calc R
C24 C 1.2076(3) -0.3122(3) 0.12749(16) 0.0369(8) Uani 1 1 d .
H24A H 1.1771 -0.3696 0.1561 0.044 Uiso 1 1 calc R
H24B H 1.3028 -0.2892 0.1510 0.044 Uiso 1 1 calc R
C25 C 1.1948(3) -0.3555(2) 0.05404(16) 0.0353(8) Uani 1 1 d .
H25A H 1.2736 -0.4039 0.0525 0.042 Uiso 1 1 calc R
H25B H 1.1086 -0.3982 0.0356 0.042 Uiso 1 1 calc R
C26 C 1.1947(3) -0.2464(2) 0.01491(15) 0.0312(7) Uani 1 1 d .
H26A H 1.2896 -0.2214 0.0184 0.037 Uiso 1 1 calc R
H26B H 1.1453 -0.2557 -0.0347 0.037 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'
Ca Ca 0.2262 0.3064 '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'
O O 0.0106 0.0060 '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
O2 Ca1 O2 180.00(14) 3_755 .
O2 Ca1 O1 90.89(7) 3_755 3_755
O2 Ca1 O1 89.11(7) . 3_755
O2 Ca1 O1 89.11(7) 3_755 .
O2 Ca1 O1 90.89(7) . .
O1 Ca1 O1 180.00(11) 3_755 .
O2 Ca1 Si1 93.45(5) 3_755 .
O2 Ca1 Si1 86.55(5) . .
O1 Ca1 Si1 90.36(5) 3_755 .
O1 Ca1 Si1 89.64(5) . .
O2 Ca1 Si1 86.55(5) 3_755 3_755
O2 Ca1 Si1 93.45(5) . 3_755
O1 Ca1 Si1 89.64(5) 3_755 3_755
O1 Ca1 Si1 90.36(5) . 3_755
Si1 Ca1 Si1 180.00(3) . 3_755
C7 Si1 C1 100.78(11) . .
C7 Si1 C13 103.43(12) . .
C1 Si1 C13 104.18(12) . .
C7 Si1 Ca1 122.12(9) . .
C1 Si1 Ca1 108.74(8) . .
C13 Si1 Ca1 115.37(8) . .
C22 O1 C19 107.4(2) . .
C22 O1 Ca1 128.21(16) . .
C19 O1 Ca1 124.25(16) . .
C26 O2 C23 108.6(2) . .
C26 O2 Ca1 129.05(16) . .
C23 O2 Ca1 120.96(16) . .
C2 C1 C6 115.8(2) . .
C2 C1 Si1 123.7(2) . .
C6 C1 Si1 120.2(2) . .
C3 C2 C1 121.9(3) . .
C3 C2 H2 119.0 . .
C1 C2 H2 119.0 . .
C4 C3 C2 120.5(3) . .
C4 C3 H3 119.7 . .
C2 C3 H3 119.7 . .
C3 C4 C5 119.5(3) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C6 C5 C4 119.4(3) . .
C6 C5 H5 120.3 . .
C4 C5 H5 120.3 . .
C5 C6 C1 122.8(3) . .
C5 C6 H6 118.6 . .
C1 C6 H6 118.6 . .
C8 C7 C12 116.2(2) . .
C8 C7 Si1 119.6(2) . .
C12 C7 Si1 124.1(2) . .
C7 C8 C9 122.9(3) . .
C7 C8 H8 118.6 . .
C9 C8 H8 118.6 . .
C10 C9 C8 119.1(3) . .
C10 C9 H9 120.5 . .
C8 C9 H9 120.5 . .
C9 C10 C11 119.8(3) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C10 C11 C12 120.3(3) . .
C10 C11 H11 119.9 . .
C12 C11 H11 119.9 . .
C11 C12 C7 121.7(3) . .
C11 C12 H12 119.1 . .
C7 C12 H12 119.1 . .
C18 C13 C14 115.6(3) . .
C18 C13 Si1 118.9(2) . .
C14 C13 Si1 125.0(2) . .
C15 C14 C13 121.7(3) . .
C15 C14 H14 119.1 . .
C13 C14 H14 119.1 . .
C16 C15 C14 121.0(3) . .
C16 C15 H15 119.5 . .
C14 C15 H15 119.5 . .
C17 C16 C15 118.5(3) . .
C17 C16 H16 120.8 . .
C15 C16 H16 120.8 . .
C16 C17 C18 120.8(3) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C17 C18 C13 122.4(3) . .
C17 C18 H18 118.8 . .
C13 C18 H18 118.8 . .
O1 C19 C20 106.5(2) . .
O1 C19 H19A 110.4 . .
C20 C19 H19A 110.4 . .
O1 C19 H19B 110.4 . .
C20 C19 H19B 110.4 . .
H19A C19 H19B 108.6 . .
C19 C20 C21 102.7(2) . .
C19 C20 H20A 111.2 . .
C21 C20 H20A 111.2 . .
C19 C20 H20B 111.2 . .
C21 C20 H20B 111.2 . .
H20A C20 H20B 109.1 . .
C22 C21 C20 101.5(3) . .
C22 C21 H21A 111.5 . .
C20 C21 H21A 111.5 . .
C22 C21 H21B 111.5 . .
C20 C21 H21B 111.5 . .
H21A C21 H21B 109.3 . .
O1 C22 C21 105.6(2) . .
O1 C22 H22A 110.6 . .
C21 C22 H22A 110.6 . .
O1 C22 H22B 110.6 . .
C21 C22 H22B 110.6 . .
H22A C22 H22B 108.7 . .
O2 C23 C24 105.9(2) . .
O2 C23 H23A 110.6 . .
C24 C23 H23A 110.6 . .
O2 C23 H23B 110.6 . .
C24 C23 H23B 110.6 . .
H23A C23 H23B 108.7 . .
C23 C24 C25 101.3(2) . .
C23 C24 H24A 111.5 . .
C25 C24 H24A 111.5 . .
C23 C24 H24B 111.5 . .
C25 C24 H24B 111.5 . .
H24A C24 H24B 109.3 . .
C26 C25 C24 101.5(2) . .
C26 C25 H25A 111.5 . .
C24 C25 H25A 111.5 . .
C26 C25 H25B 111.5 . .
C24 C25 H25B 111.5 . .
H25A C25 H25B 109.3 . .
O2 C26 C25 105.2(2) . .
O2 C26 H26A 110.7 . .
C25 C26 H26A 110.7 . .
O2 C26 H26B 110.7 . .
C25 C26 H26B 110.7 . .
H26A C26 H26B 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ca1 O2 2.3836(18) 3_755
Ca1 O2 2.3836(18) .
Ca1 O1 2.4378(18) 3_755
Ca1 O1 2.4378(18) .
Ca1 Si1 3.1503(8) .
Ca1 Si1 3.1503(8) 3_755
Si1 C7 1.911(3) .
Si1 C1 1.913(3) .
Si1 C13 1.921(3) .
O1 C22 1.456(3) .
O1 C19 1.459(3) .
O2 C26 1.454(3) .
O2 C23 1.455(3) .
C1 C2 1.400(4) .
C1 C6 1.404(4) .
C2 C3 1.383(4) .
C2 H2 0.9500 .
C3 C4 1.377(4) .
C3 H3 0.9500 .
C4 C5 1.386(4) .
C4 H4 0.9500 .
C5 C6 1.380(4) .
C5 H5 0.9500 .
C6 H6 0.9500 .
C7 C8 1.392(4) .
C7 C12 1.398(4) .
C8 C9 1.393(4) .
C8 H8 0.9500 .
C9 C10 1.378(4) .
C9 H9 0.9500 .
C10 C11 1.381(4) .
C10 H10 0.9500 .
C11 C12 1.388(4) .
C11 H11 0.9500 .
C12 H12 0.9500 .
C13 C18 1.394(4) .
C13 C14 1.397(4) .
C14 C15 1.392(4) .
C14 H14 0.9500 .
C15 C16 1.372(4) .
C15 H15 0.9500 .
C16 C17 1.368(4) .
C16 H16 0.9500 .
C17 C18 1.385(4) .
C17 H17 0.9500 .
C18 H18 0.9500 .
C19 C20 1.507(4) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
C20 C21 1.522(4) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.480(4) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.495(4) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 C25 1.529(4) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.510(4) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
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
O2 Ca1 Si1 C7 12.12(11) 3_755
O2 Ca1 Si1 C7 -167.88(11) .
O1 Ca1 Si1 C7 -78.80(11) 3_755
O1 Ca1 Si1 C7 101.20(11) .
O2 Ca1 Si1 C1 -104.38(10) 3_755
O2 Ca1 Si1 C1 75.62(10) .
O1 Ca1 Si1 C1 164.71(10) 3_755
O1 Ca1 Si1 C1 -15.29(10) .
O2 Ca1 Si1 C13 139.07(10) 3_755
O2 Ca1 Si1 C13 -40.93(10) .
O1 Ca1 Si1 C13 48.16(10) 3_755
O1 Ca1 Si1 C13 -131.84(10) .
O2 Ca1 O1 C22 -128.7(2) 3_755
O2 Ca1 O1 C22 51.3(2) .
Si1 Ca1 O1 C22 137.9(2) .
Si1 Ca1 O1 C22 -42.1(2) 3_755
O2 Ca1 O1 C19 47.2(2) 3_755
O2 Ca1 O1 C19 -132.8(2) .
Si1 Ca1 O1 C19 -46.3(2) .
Si1 Ca1 O1 C19 133.7(2) 3_755
O1 Ca1 O2 C26 -36.1(2) 3_755
O1 Ca1 O2 C26 143.9(2) .
Si1 Ca1 O2 C26 54.3(2) .
Si1 Ca1 O2 C26 -125.7(2) 3_755
O1 Ca1 O2 C23 158.89(19) 3_755
O1 Ca1 O2 C23 -21.11(19) .
Si1 Ca1 O2 C23 -110.70(19) .
Si1 Ca1 O2 C23 69.30(19) 3_755
C7 Si1 C1 C2 -10.9(2) .
C13 Si1 C1 C2 -117.8(2) .
Ca1 Si1 C1 C2 118.6(2) .
C7 Si1 C1 C6 176.0(2) .
C13 Si1 C1 C6 69.0(2) .
Ca1 Si1 C1 C6 -54.5(2) .
C6 C1 C2 C3 0.6(4) .
Si1 C1 C2 C3 -172.8(2) .
C1 C2 C3 C4 -1.1(4) .
C2 C3 C4 C5 0.4(4) .
C3 C4 C5 C6 0.7(4) .
C4 C5 C6 C1 -1.1(4) .
C2 C1 C6 C5 0.5(4) .
Si1 C1 C6 C5 174.2(2) .
C1 Si1 C7 C8 89.1(2) .
C13 Si1 C7 C8 -163.3(2) .
Ca1 Si1 C7 C8 -31.3(2) .
C1 Si1 C7 C12 -86.5(2) .
C13 Si1 C7 C12 21.1(3) .
Ca1 Si1 C7 C12 153.15(19) .
C12 C7 C8 C9 0.1(4) .
Si1 C7 C8 C9 -175.8(2) .
C7 C8 C9 C10 0.3(4) .
C8 C9 C10 C11 -0.3(4) .
C9 C10 C11 C12 0.0(4) .
C10 C11 C12 C7 0.4(4) .
C8 C7 C12 C11 -0.4(4) .
Si1 C7 C12 C11 175.3(2) .
C7 Si1 C13 C18 65.1(2) .
C1 Si1 C13 C18 170.1(2) .
Ca1 Si1 C13 C18 -70.8(2) .
C7 Si1 C13 C14 -123.9(2) .
C1 Si1 C13 C14 -18.9(3) .
Ca1 Si1 C13 C14 100.2(2) .
C18 C13 C14 C15 2.4(4) .
Si1 C13 C14 C15 -168.9(2) .
C13 C14 C15 C16 -0.5(5) .
C14 C15 C16 C17 -1.3(5) .
C15 C16 C17 C18 1.1(4) .
C16 C17 C18 C13 1.0(5) .
C14 C13 C18 C17 -2.6(4) .
Si1 C13 C18 C17 169.2(2) .
C22 O1 C19 C20 -0.6(3) .
Ca1 O1 C19 C20 -177.10(18) .
O1 C19 C20 C21 24.1(3) .
C19 C20 C21 C22 -38.0(3) .
C19 O1 C22 C21 -24.3(3) .
Ca1 O1 C22 C21 152.1(2) .
C20 C21 C22 O1 38.6(3) .
C26 O2 C23 C24 13.8(3) .
Ca1 O2 C23 C24 -178.41(18) .
O2 C23 C24 C25 -34.3(3) .
C23 C24 C25 C26 41.3(3) .
C23 O2 C26 C25 13.0(3) .
Ca1 O2 C26 C25 -153.45(18) .
C24 C25 C26 O2 -33.8(3) .
