#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:10:15 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180171 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/67/7106741.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_7106741
loop_
_publ_author_name
'Peter Bellham'
'Michael S. Hill'
'David J. Liptrot'
'Dugald J. MacDougall'
'Mary F. Mahon'
_publ_section_title
;
 Alkylstrontium diamidoboranes: B-hydride elimination and Sr-C insertion
;
_journal_name_full               Chem.Commun.
_journal_page_first              9060
_journal_paper_doi               10.1039/c1cc12825f
_journal_volume                  47
_journal_year                    2011
_chemical_formula_sum            'C17 H44 B N O2 Si2 Sr'
_chemical_formula_weight         449.14
_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                100.864(1)
_cell_angle_beta                 95.568(1)
_cell_angle_gamma                118.654(1)
_cell_formula_units_Z            2
_cell_length_a                   10.1308(2)
_cell_length_b                   10.4122(2)
_cell_length_c                   14.4298(4)
_cell_measurement_reflns_used    29119
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.910
_cell_volume                     1280.37(5)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Bruker AXS BV 1997-2004)'
_computing_data_reduction        'Denzo & Scalepack (Otwinowski, Minor 1997)'
_computing_molecular_graphics    'ORTEX (P.McArdle 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_refinement  'SHELXL-97/2 (Sheldrick 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  '95mm CCD camera on κ-goniostat'
_diffrn_measurement_method       CCD
_diffrn_radiation_monochromator  'horizonally mounted graphite crystal'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0540
_diffrn_reflns_av_sigmaI/netI    0.0382
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            24214
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         4.40
_exptl_absorpt_coefficient_mu    2.208
_exptl_absorpt_correction_T_max  0.81
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       tabloid
_exptl_crystal_F_000             480
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.802
_refine_diff_density_min         -0.865
_refine_diff_density_rms         0.068
_refine_ls_extinction_coef       0.012(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.076
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     333
_refine_ls_number_reflns         5825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.076
_refine_ls_R_factor_all          0.0439
_refine_ls_R_factor_gt           0.0373
_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)+(0.0498P)²+0.4704P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0928
_refine_ls_wR_factor_ref         0.0972
_reflns_number_gt                5234
_reflns_number_total             5825
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12825f.txt
_cod_data_source_block           k09msh34
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106741
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
Sr1 Sr 1.01815(2) 1.00662(2) 0.153944(14) 0.03394(10) Uani 1 1 d . . .
Si1 Si 1.28559(8) 1.43260(8) 0.29692(5) 0.04637(18) Uani 1 1 d . . .
Si2 Si 0.99760(8) 1.22542(8) 0.37669(5) 0.04183(17) Uani 1 1 d . A .
O1 O 0.8795(2) 0.7198(2) 0.14358(15) 0.0566(5) Uani 1 1 d . A .
O2 O 1.2176(12) 0.9605(16) 0.2488(9) 0.0460(18) Uani 0.50 1 d P A 1
O2A O 1.1860(13) 0.9520(14) 0.2687(8) 0.0467(18) Uani 0.50 1 d P A 2
N1 N 0.7373(2) 0.9522(2) 0.08249(15) 0.0413(4) Uani 1 1 d . A 1
C1 C 1.0936(4) 1.2718(3) 0.2768(2) 0.0358(6) Uani 0.75 1 d P A 1
H1A H 1.0961 1.1808 0.2436 0.043 Uiso 0.75 1 calc PR A 1
H1B H 1.0260 1.2856 0.2304 0.043 Uiso 0.75 1 calc PR A 1
C2 C 1.3206(5) 1.4942(5) 0.1844(3) 0.0694(12) Uani 0.75 1 d P A 1
H2A H 1.3271 1.4177 0.1371 0.104 Uiso 0.75 1 calc PR A 1
H2B H 1.4175 1.5916 0.1993 0.104 Uiso 0.75 1 calc PR A 1
H2C H 1.2356 1.5059 0.1576 0.104 Uiso 0.75 1 calc PR A 1
C3 C 1.3360(8) 1.6099(5) 0.3927(4) 0.0779(15) Uani 0.75 1 d P A 1
H3A H 1.2613 1.6415 0.3780 0.117 Uiso 0.75 1 calc PR A 1
H3B H 1.4396 1.6914 0.3937 0.117 Uiso 0.75 1 calc PR A 1
H3C H 1.3333 1.5886 0.4560 0.117 Uiso 0.75 1 calc PR A 1
C4 C 1.4426(4) 1.3907(6) 0.3355(5) 0.0819(15) Uani 0.75 1 d P A 1
H4A H 1.4339 1.3656 0.3976 0.123 Uiso 0.75 1 calc PR A 1
H4B H 1.5438 1.4802 0.3422 0.123 Uiso 0.75 1 calc PR A 1
H4C H 1.4309 1.3046 0.2865 0.123 Uiso 0.75 1 calc PR A 1
C6 C 1.1181(4) 1.2823(4) 0.4995(2) 0.0669(8) Uani 1 1 d . . .
H6A H 1.1800 1.2333 0.4978 0.100 Uiso 1 1 calc R A .
H6B H 1.0511 1.2506 0.5453 0.100 Uiso 1 1 calc R . .
H6C H 1.1864 1.3929 0.5200 0.100 Uiso 1 1 calc R . .
C7 C 0.8751(5) 1.3151(4) 0.3902(3) 0.0778(10) Uani 1 1 d . . .
H7A H 0.9389 1.4247 0.3985 0.117 Uiso 1 1 calc R A .
H7B H 0.8301 1.2972 0.4469 0.117 Uiso 1 1 calc R . .
H7C H 0.7924 1.2701 0.3323 0.117 Uiso 1 1 calc R . .
C8 C 0.6019(3) 0.8069(4) 0.0765(3) 0.0635(8) Uani 1 1 d . A 1
H8A H 0.5772 0.8057 0.1404 0.095 Uiso 1 1 calc R A 1
H8B H 0.6228 0.7249 0.0542 0.095 Uiso 1 1 calc R A 1
H8C H 0.5145 0.7921 0.0308 0.095 Uiso 1 1 calc R A 1
C9 C 0.7029(3) 1.0740(4) 0.1143(2) 0.0553(7) Uani 1 1 d . A 1
H9A H 0.6163 1.0581 0.0672 0.083 Uiso 1 1 calc R A 1
H9B H 0.7937 1.1726 0.1192 0.083 Uiso 1 1 calc R A 1
H9C H 0.6756 1.0721 0.1776 0.083 Uiso 1 1 calc R A 1
C10 C 0.7732(13) 0.6302(16) 0.1956(12) 0.078(4) Uani 0.50 1 d P A 1
H10A H 0.6777 0.6347 0.1849 0.093 Uiso 0.50 1 calc PR A 1
H10B H 0.8195 0.6683 0.2658 0.093 Uiso 0.50 1 calc PR A 1
C11 C 0.739(3) 0.474(2) 0.1588(16) 0.121(8) Uani 0.50 1 d P A 1
H11A H 0.6274 0.4040 0.1313 0.146 Uiso 0.50 1 calc PR A 1
H11B H 0.7708 0.4384 0.2112 0.146 Uiso 0.50 1 calc PR A 1
C12A C 0.850(3) 0.469(3) 0.084(2) 0.095(6) Uani 0.50 1 d P A 2
C13 C 0.8439(13) 0.5981(8) 0.0553(6) 0.078(2) Uani 0.50 1 d P A 1
H13A H 0.7474 0.5709 0.0117 0.094 Uiso 0.50 1 calc PR A 1
H13B H 0.9283 0.6337 0.0201 0.094 Uiso 0.50 1 calc PR A 1
C14 C 1.3682(9) 0.9898(12) 0.2437(6) 0.077(2) Uani 0.50 1 d P A 1
H14A H 1.4287 1.0882 0.2287 0.092 Uiso 0.50 1 calc PR A 1
H14B H 1.3636 0.9086 0.1927 0.092 Uiso 0.50 1 calc PR A 1
C15 C 1.4397(17) 0.994(3) 0.3394(12) 0.099(6) Uani 0.50 1 d P A 1
H15A H 1.4612 0.9099 0.3330 0.118 Uiso 0.50 1 calc PR A 1
H15B H 1.5386 1.0912 0.3658 0.118 Uiso 0.50 1 calc PR A 1
C16 C 1.3347(15) 0.979(2) 0.4047(13) 0.076(4) Uani 0.50 1 d P A 1
H16A H 1.3667 1.0793 0.4489 0.091 Uiso 0.50 1 calc PR A 1
H16B H 1.3302 0.9090 0.4435 0.091 Uiso 0.50 1 calc PR A 1
C17 C 1.1848(9) 0.9175(14) 0.3386(7) 0.076(3) Uani 0.502(11) 1 d P A 1
H17A H 1.1243 0.8055 0.3255 0.091 Uiso 0.502(11) 1 calc PR A 1
H17B H 1.1249 0.9601 0.3677 0.091 Uiso 0.502(11) 1 calc PR A 1
C1A C 1.1492(11) 1.2485(11) 0.3087(8) 0.040(2) Uiso 0.25 1 d P A 2
H1A1 H 1.2092 1.2091 0.3387 0.048 Uiso 0.25 1 calc PR A 2
H1A2 H 1.0969 1.1808 0.2425 0.048 Uiso 0.25 1 calc PR A 2
C2A C 1.1792(18) 1.4940(18) 0.2102(11) 0.074(4) Uiso 0.25 1 d P A 2
H2A1 H 1.1222 1.4123 0.1503 0.111 Uiso 0.25 1 calc PR A 2
H2A2 H 1.2549 1.5862 0.1953 0.111 Uiso 0.25 1 calc PR A 2
H2A3 H 1.1071 1.5143 0.2417 0.111 Uiso 0.25 1 calc PR A 2
C3A C 1.3900(18) 1.594(2) 0.4075(13) 0.060(4) Uiso 0.25 1 d P A 2
H3A1 H 1.3198 1.6272 0.4296 0.090 Uiso 0.25 1 calc PR A 2
H3A2 H 1.4771 1.6790 0.3929 0.090 Uiso 0.25 1 calc PR A 2
H3A3 H 1.4281 1.5624 0.4584 0.090 Uiso 0.25 1 calc PR A 2
C4A C 1.4374(19) 1.4322(19) 0.2331(12) 0.082(4) Uiso 0.25 1 d P A 2
H4A1 H 1.4924 1.3931 0.2673 0.123 Uiso 0.25 1 calc PR A 2
H4A2 H 1.5103 1.5361 0.2317 0.123 Uiso 0.25 1 calc PR A 2
H4A3 H 1.3892 1.3672 0.1668 0.123 Uiso 0.25 1 calc PR A 2
C5A C 0.8552(3) 1.0150(3) 0.3506(2) 0.0529(6) Uani 1 1 d . . .
H5A1 H 0.7891 0.9784 0.2861 0.079 Uiso 1 1 calc R A .
H5A2 H 0.7915 0.9972 0.3990 0.079 Uiso 1 1 calc R . .
H5A3 H 0.9112 0.9603 0.3532 0.079 Uiso 1 1 calc R . .
C10A C 0.8312(16) 0.6362(13) 0.2150(8) 0.075(3) Uani 0.50 1 d P A 2
H10C H 0.9142 0.6859 0.2741 0.090 Uiso 0.50 1 calc PR A 2
H10D H 0.7387 0.6351 0.2325 0.090 Uiso 0.50 1 calc PR A 2
C11A C 0.797(2) 0.4865(19) 0.1770(16) 0.097(6) Uani 0.50 1 d P A 2
H11C H 0.6849 0.4160 0.1653 0.116 Uiso 0.50 1 calc PR A 2
H11D H 0.8490 0.4586 0.2246 0.116 Uiso 0.50 1 calc PR A 2
C12 C 0.828(3) 0.4786(16) 0.0832(17) 0.083(6) Uani 0.50 1 d P A 1
H12A H 0.9299 0.4930 0.1098 0.100 Uiso 0.50 1 calc PR A 1
H12B H 0.7716 0.3848 0.0292 0.100 Uiso 0.50 1 calc PR A 1
C13A C 0.9410(8) 0.6408(7) 0.0870(6) 0.0612(17) Uani 0.50 1 d P A 2
H13C H 1.0514 0.6848 0.1159 0.073 Uiso 0.50 1 calc PR A 2
H13D H 0.9325 0.6523 0.0205 0.073 Uiso 0.50 1 calc PR A 2
C14A C 1.2603(11) 0.8685(11) 0.2318(5) 0.072(2) Uani 0.50 1 d P A 2
H14C H 1.2623 0.8639 0.1628 0.086 Uiso 0.50 1 calc PR A 2
H14D H 1.2063 0.7637 0.2389 0.086 Uiso 0.50 1 calc PR A 2
C15A C 1.4167(15) 0.9571(16) 0.2923(10) 0.080(4) Uani 0.50 1 d P A 2
H15C H 1.4841 1.0431 0.2673 0.096 Uiso 0.50 1 calc PR A 2
H15D H 1.4630 0.8928 0.2957 0.096 Uiso 0.50 1 calc PR A 2
C16A C 1.3917(15) 1.0135(15) 0.3906(11) 0.068(5) Uani 0.498(11) 1 d P A 2
H16C H 1.3823 0.9445 0.4316 0.082 Uiso 0.498(11) 1 calc PR A 2
H16D H 1.4782 1.1170 0.4244 0.082 Uiso 0.498(11) 1 calc PR A 2
C17A C 1.2442(8) 1.0139(9) 0.3681(5) 0.0504(15) Uani 0.50 1 d P A 2
H17C H 1.1695 0.9524 0.4037 0.060 Uiso 0.50 1 calc PR A 2
H17D H 1.2637 1.1190 0.3874 0.060 Uiso 0.50 1 calc PR A 2
B1 B 0.7881(4) 0.9558(4) -0.0130(2) 0.0497(7) Uani 1 1 d . A 1
H1C H 0.8213 0.8815 -0.0286 0.067(9) Uiso 1 1 calc R A 1
H1D H 0.8740 1.0576 -0.0079 0.067(10) Uiso 1 1 calc R A 1
H1E H 0.7018 0.9305 -0.0643 0.101(13) Uiso 1 1 calc R A 1
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'
B B 0.0013 0.0007 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -1.5307 3.2498 '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
O1 Sr1 O2A 70.1(3) . . ?
O1 Sr1 O2 73.4(3) . . ?
O2A Sr1 O2 9.7(2) . . ?
O1 Sr1 N1 84.95(7) . . ?
O2A Sr1 N1 147.7(2) . . ?
O2 Sr1 N1 155.6(2) . . ?
O1 Sr1 C1A 130.2(2) . . ?
O2A Sr1 C1A 75.8(4) . . ?
O2 Sr1 C1A 79.0(4) . . ?
N1 Sr1 C1A 108.2(2) . . ?
O1 Sr1 C1 139.77(8) . . ?
O2A Sr1 C1 93.8(3) . . ?
O2 Sr1 C1 97.0(3) . . ?
N1 Sr1 C1 92.39(8) . . ?
C1A Sr1 C1 18.1(2) . . ?
O1 Sr1 C13A 22.81(13) . . ?
O2A Sr1 C13A 66.7(3) . . ?
O2 Sr1 C13A 66.0(3) . . ?
N1 Sr1 C13A 97.69(13) . . ?
C1A Sr1 C13A 140.5(3) . . ?
C1 Sr1 C13A 156.50(15) . . ?
O1 Sr1 Si2 111.37(5) . . ?
O2A Sr1 Si2 84.6(2) . . ?
O2 Sr1 Si2 91.6(2) . . ?
N1 Sr1 Si2 85.94(5) . . ?
C1A Sr1 Si2 28.9(2) . . ?
C1 Sr1 Si2 28.58(7) . . ?
C13A Sr1 Si2 131.01(14) . . ?
O1 Sr1 Sr1 100.88(5) . 2_775 ?
O2A Sr1 Sr1 131.52(17) . 2_775 ?
O2 Sr1 Sr1 122.44(17) . 2_775 ?
N1 Sr1 Sr1 71.88(4) . 2_775 ?
C1A Sr1 Sr1 129.0(2) . 2_775 ?
C1 Sr1 Sr1 116.41(7) . 2_775 ?
C13A Sr1 Sr1 86.96(14) . 2_775 ?
Si2 Sr1 Sr1 138.905(13) . 2_775 ?
C1A Si1 C1 27.1(3) . . ?
C1A Si1 C3A 118.8(7) . . ?
C1 Si1 C3A 126.5(6) . . ?
C1A Si1 C2 128.3(4) . . ?
C1 Si1 C2 110.64(18) . . ?
C3A Si1 C2 112.3(6) . . ?
C1A Si1 C4A 113.5(6) . . ?
C1 Si1 C4A 124.4(5) . . ?
C3A Si1 C4A 105.7(7) . . ?
C2 Si1 C4A 55.9(5) . . ?
C1A Si1 C3 120.0(4) . . ?
C1 Si1 C3 116.9(2) . . ?
C3A Si1 C3 20.5(4) . . ?
C2 Si1 C3 105.1(2) . . ?
C4A Si1 C3 118.6(6) . . ?
C1A Si1 C4 87.1(4) . . ?
C1 Si1 C4 113.22(18) . . ?
C3A Si1 C4 83.1(5) . . ?
C2 Si1 C4 106.5(2) . . ?
C4A Si1 C4 50.8(5) . . ?
C3 Si1 C4 103.6(3) . . ?
C1A Si1 C2A 108.8(6) . . ?
C1 Si1 C2A 82.0(5) . . ?
C3A Si1 C2A 106.1(7) . . ?
C2 Si1 C2A 46.6(5) . . ?
C4A Si1 C2A 102.3(7) . . ?
C3 Si1 C2A 87.3(5) . . ?
C4 Si1 C2A 153.1(5) . . ?
C1 Si2 C1A 26.5(3) . . ?
C1 Si2 C6 118.75(16) . . ?
C1A Si2 C6 97.0(4) . . ?
C1 Si2 C7 109.40(17) . . ?
C1A Si2 C7 133.8(4) . . ?
C6 Si2 C7 105.76(16) . . ?
C1 Si2 C5A 111.90(13) . . ?
C1A Si2 C5A 107.7(3) . . ?
C6 Si2 C5A 105.93(15) . . ?
C7 Si2 C5A 103.94(16) . . ?
C1 Si2 Sr1 44.67(9) . . ?
C1A Si2 Sr1 44.7(3) . . ?
C6 Si2 Sr1 126.48(12) . . ?
C7 Si2 Sr1 127.63(12) . . ?
C5A Si2 Sr1 67.82(9) . . ?
C10 O1 C13A 113.4(6) . . ?
C10 O1 C10A 23.8(7) . . ?
C13A O1 C10A 102.1(5) . . ?
C10 O1 C13 99.5(7) . . ?
C13A O1 C13 35.3(4) . . ?
C10A O1 C13 102.5(5) . . ?
C10 O1 Sr1 132.5(6) . . ?
C13A O1 Sr1 113.1(3) . . ?
C10A O1 Sr1 132.8(4) . . ?
C13 O1 Sr1 124.5(3) . . ?
C14 O2 C17 107.9(9) . . ?
C14 O2 Sr1 134.9(7) . . ?
C17 O2 Sr1 116.3(5) . . ?
C17A O2A C14A 108.4(9) . . ?
C17A O2A Sr1 128.9(7) . . ?
C14A O2A Sr1 121.7(7) . . ?
C8 N1 C9 108.8(2) . . ?
C8 N1 B1 111.7(2) . . ?
C9 N1 B1 111.4(2) . . ?
C8 N1 Sr1 120.05(17) . . ?
C9 N1 Sr1 117.55(16) . . ?
B1 N1 Sr1 85.13(14) . . ?
Si1 C1 Si2 121.49(17) . . ?
Si1 C1 Sr1 119.28(14) . . ?
Si2 C1 Sr1 106.75(13) . . ?
Si1 C1 H1A 107.0 . . ?
Si2 C1 H1A 107.0 . . ?
Sr1 C1 H1A 17.8 . . ?
Si1 C1 H1B 107.0 . . ?
Si2 C1 H1B 107.0 . . ?
Sr1 C1 H1B 90.2 . . ?
H1A C1 H1B 106.7 . . ?
Si1 C2 H2A 109.5 . . ?
Si1 C2 H2B 109.5 . . ?
Si1 C2 H2C 109.5 . . ?
Si1 C3 H3A 109.5 . . ?
Si1 C3 H3B 109.5 . . ?
Si1 C3 H3C 109.5 . . ?
Si1 C4 H4A 109.5 . . ?
Si1 C4 H4B 109.5 . . ?
Si1 C4 H4C 109.5 . . ?
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 . . ?
O1 C10 C11 106.8(13) . . ?
O1 C10 H10A 110.4 . . ?
C11 C10 H10A 110.4 . . ?
O1 C10 H10B 110.4 . . ?
C11 C10 H10B 110.4 . . ?
H10A C10 H10B 108.6 . . ?
C10 C11 C12 105.4(15) . . ?
C10 C11 H11A 110.7 . . ?
C12 C11 H11A 110.7 . . ?
C10 C11 H11B 110.7 . . ?
C12 C11 H11B 110.7 . . ?
H11A C11 H11B 108.8 . . ?
C11A C12A C13A 97.5(14) . . ?
C12 C13 O1 107.8(10) . . ?
C12 C13 H13A 110.1 . . ?
O1 C13 H13A 110.1 . . ?
C12 C13 H13B 110.1 . . ?
O1 C13 H13B 110.1 . . ?
H13A C13 H13B 108.5 . . ?
O2 C14 C15 106.7(9) . . ?
O2 C14 H14A 110.4 . . ?
C15 C14 H14A 110.4 . . ?
O2 C14 H14B 110.4 . . ?
C15 C14 H14B 110.4 . . ?
H14A C14 H14B 108.6 . . ?
C16 C15 C14 109.1(12) . . ?
C16 C15 H15A 109.9 . . ?
C14 C15 H15A 109.9 . . ?
C16 C15 H15B 109.9 . . ?
C14 C15 H15B 109.9 . . ?
H15A C15 H15B 108.3 . . ?
C15 C16 C17 103.5(13) . . ?
C15 C16 H16A 111.1 . . ?
C17 C16 H16A 111.1 . . ?
C15 C16 H16B 111.1 . . ?
C17 C16 H16B 111.1 . . ?
H16A C16 H16B 109.0 . . ?
O2 C17 C16 107.0(9) . . ?
O2 C17 H17A 110.3 . . ?
C16 C17 H17A 110.3 . . ?
O2 C17 H17B 110.3 . . ?
C16 C17 H17B 110.3 . . ?
H17A C17 H17B 108.6 . . ?
Si1 C1A Si2 120.7(5) . . ?
Si1 C1A Sr1 119.7(5) . . ?
Si2 C1A Sr1 106.4(4) . . ?
Si1 C1A H1A1 107.1 . . ?
Si2 C1A H1A1 107.1 . . ?
Sr1 C1A H1A1 91.1 . . ?
Si1 C1A H1A2 107.1 . . ?
Si2 C1A H1A2 107.1 . . ?
Sr1 C1A H1A2 17.2 . . ?
H1A1 C1A H1A2 106.8 . . ?
Si1 C2A H2A1 109.5 . . ?
Si1 C2A H2A2 109.5 . . ?
H2A1 C2A H2A2 109.5 . . ?
Si1 C2A H2A3 109.5 . . ?
H2A1 C2A H2A3 109.5 . . ?
H2A2 C2A H2A3 109.5 . . ?
Si1 C3A H3A1 109.5 . . ?
Si1 C3A H3A2 109.5 . . ?
H3A1 C3A H3A2 109.5 . . ?
Si1 C3A H3A3 109.5 . . ?
H3A1 C3A H3A3 109.5 . . ?
H3A2 C3A H3A3 109.5 . . ?
Si1 C4A H4A1 109.5 . . ?
Si1 C4A H4A2 109.5 . . ?
H4A1 C4A H4A2 109.5 . . ?
Si1 C4A H4A3 109.5 . . ?
H4A1 C4A H4A3 109.5 . . ?
H4A2 C4A H4A3 109.5 . . ?
Si2 C5A H5A1 109.5 . . ?
Si2 C5A H5A2 109.5 . . ?
H5A1 C5A H5A2 109.5 . . ?
Si2 C5A H5A3 109.5 . . ?
H5A1 C5A H5A3 109.5 . . ?
H5A2 C5A H5A3 109.5 . . ?
C11A C10A O1 109.3(11) . . ?
C11A C10A H10C 109.8 . . ?
O1 C10A H10C 109.8 . . ?
C11A C10A H10D 109.8 . . ?
O1 C10A H10D 109.8 . . ?
H10C C10A H10D 108.3 . . ?
C10A C11A C12A 111.4(14) . . ?
C10A C11A H11C 109.4 . . ?
C12A C11A H11C 109.4 . . ?
C10A C11A H11D 109.4 . . ?
C12A C11A H11D 109.4 . . ?
H11C C11A H11D 108.0 . . ?
C13 C12 C11 102.2(16) . . ?
C13 C12 H12A 111.3 . . ?
C11 C12 H12A 111.3 . . ?
C13 C12 H12B 111.3 . . ?
C11 C12 H12B 111.3 . . ?
H12A C12 H12B 109.2 . . ?
O1 C13A C12A 109.6(12) . . ?
O1 C13A Sr1 44.1(2) . . ?
C12A C13A Sr1 153.7(11) . . ?
O1 C13A H13C 109.8 . . ?
C12A C13A H13C 109.8 . . ?
Sr1 C13A H13C 85.1 . . ?
O1 C13A H13D 109.8 . . ?
C12A C13A H13D 109.8 . . ?
Sr1 C13A H13D 84.5 . . ?
H13C C13A H13D 108.2 . . ?
O2A C14A C15A 103.7(8) . . ?
O2A C14A H14C 111.0 . . ?
C15A C14A H14C 111.0 . . ?
O2A C14A H14D 111.0 . . ?
C15A C14A H14D 111.0 . . ?
H14C C14A H14D 109.0 . . ?
C14A C15A C16A 103.1(9) . . ?
C14A C15A H15C 111.2 . . ?
C16A C15A H15C 111.2 . . ?
C14A C15A H15D 111.2 . . ?
C16A C15A H15D 111.2 . . ?
H15C C15A H15D 109.1 . . ?
C17A C16A C15A 104.6(10) . . ?
C17A C16A H16C 110.8 . . ?
C15A C16A H16C 110.8 . . ?
C17A C16A H16D 110.8 . . ?
C15A C16A H16D 110.8 . . ?
H16C C16A H16D 108.9 . . ?
O2A C17A C16A 107.1(8) . . ?
O2A C17A H17C 110.3 . . ?
C16A C17A H17C 110.3 . . ?
O2A C17A H17D 110.3 . . ?
C16A C17A H17D 110.3 . . ?
H17C C17A H17D 108.5 . . ?
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
Sr1 O1 2.5846(18) . ?
Sr1 O2A 2.588(12) . ?
Sr1 O2 2.614(13) . ?
Sr1 N1 2.6733(19) . ?
Sr1 C1A 2.681(10) . ?
Sr1 C1 2.686(3) . ?
Sr1 C13A 3.416(7) . ?
Sr1 Si2 3.6591(7) . ?
Sr1 Sr1 4.3927(4) 2_775 ?
Si1 C1A 1.800(10) . ?
Si1 C1 1.804(3) . ?
Si1 C3A 1.859(17) . ?
Si1 C2 1.860(4) . ?
Si1 C4A 1.869(16) . ?
Si1 C3 1.891(5) . ?
Si1 C4 1.901(5) . ?
Si1 C2A 1.959(15) . ?
Si2 C1 1.828(3) . ?
Si2 C1A 1.846(10) . ?
Si2 C6 1.864(3) . ?
Si2 C7 1.882(3) . ?
Si2 C5A 1.891(3) . ?
O1 C10 1.432(14) . ?
O1 C13A 1.439(7) . ?
O1 C10A 1.444(13) . ?
O1 C13 1.491(7) . ?
O2 C14 1.417(10) . ?
O2 C17 1.466(11) . ?
O2A C17A 1.394(14) . ?
O2A C14A 1.462(11) . ?
N1 C8 1.455(3) . ?
N1 C9 1.475(3) . ?
N1 B1 1.519(4) . ?
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 . ?
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 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.47(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C11 C12 1.48(4) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12A C11A 1.50(4) . ?
C12A C13A 1.55(3) . ?
C13 C12 1.32(2) . ?
C13 H13A 0.9900 . ?
C13 H13B 0.9900 . ?
C14 C15 1.478(13) . ?
C14 H14A 0.9900 . ?
C14 H14B 0.9900 . ?
C15 C16 1.462(17) . ?
C15 H15A 0.9900 . ?
C15 H15B 0.9900 . ?
C16 C17 1.476(17) . ?
C16 H16A 0.9900 . ?
C16 H16B 0.9900 . ?
C17 H17A 0.9900 . ?
C17 H17B 0.9900 . ?
C1A H1A1 0.9900 . ?
C1A H1A2 0.9900 . ?
C2A H2A1 0.9800 . ?
C2A H2A2 0.9800 . ?
C2A H2A3 0.9800 . ?
C3A H3A1 0.9800 . ?
C3A H3A2 0.9800 . ?
C3A H3A3 0.9800 . ?
C4A H4A1 0.9800 . ?
C4A H4A2 0.9800 . ?
C4A H4A3 0.9800 . ?
C5A H5A1 0.9800 . ?
C5A H5A2 0.9800 . ?
C5A H5A3 0.9800 . ?
C10A C11A 1.41(2) . ?
C10A H10C 0.9900 . ?
C10A H10D 0.9900 . ?
C11A H11C 0.9900 . ?
C11A H11D 0.9900 . ?
C12 H12A 0.9900 . ?
C12 H12B 0.9900 . ?
C13A H13C 0.9900 . ?
C13A H13D 0.9900 . ?
C14A C15A 1.467(15) . ?
C14A H14C 0.9900 . ?
C14A H14D 0.9900 . ?
C15A C16A 1.523(17) . ?
C15A H15C 0.9900 . ?
C15A H15D 0.9900 . ?
C16A C17A 1.501(14) . ?
C16A H16C 0.9900 . ?
C16A H16D 0.9900 . ?
C17A H17C 0.9900 . ?
C17A H17D 0.9900 . ?
B1 H1C 0.9800 . ?
B1 H1D 0.9800 . ?
B1 H1E 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
O1 Sr1 Si2 C1 174.46(16) . . . . ?
O2A Sr1 Si2 C1 108.4(3) . . . . ?
O2 Sr1 Si2 C1 101.7(3) . . . . ?
N1 Sr1 Si2 C1 -102.58(16) . . . . ?
C1A Sr1 Si2 C1 38.1(5) . . . . ?
C13A Sr1 Si2 C1 160.8(2) . . . . ?
Sr1 Sr1 Si2 C1 -46.35(15) 2_775 . . . ?
O1 Sr1 Si2 C1A 136.4(5) . . . . ?
O2A Sr1 Si2 C1A 70.3(6) . . . . ?
O2 Sr1 Si2 C1A 63.6(6) . . . . ?
N1 Sr1 Si2 C1A -140.7(5) . . . . ?
C1 Sr1 Si2 C1A -38.1(5) . . . . ?
C13A Sr1 Si2 C1A 122.7(5) . . . . ?
Sr1 Sr1 Si2 C1A -84.5(5) 2_775 . . . ?
O1 Sr1 Si2 C6 78.56(15) . . . . ?
O2A Sr1 Si2 C6 12.5(3) . . . . ?
O2 Sr1 Si2 C6 5.8(3) . . . . ?
N1 Sr1 Si2 C6 161.52(15) . . . . ?
C1A Sr1 Si2 C6 -57.8(5) . . . . ?
C1 Sr1 Si2 C6 -95.9(2) . . . . ?
C13A Sr1 Si2 C6 64.9(2) . . . . ?
Sr1 Sr1 Si2 C6 -142.25(14) 2_775 . . . ?
O1 Sr1 Si2 C7 -106.11(18) . . . . ?
O2A Sr1 Si2 C7 -172.2(3) . . . . ?
O2 Sr1 Si2 C7 -178.9(3) . . . . ?
N1 Sr1 Si2 C7 -23.15(18) . . . . ?
C1A Sr1 Si2 C7 117.5(5) . . . . ?
C1 Sr1 Si2 C7 79.4(2) . . . . ?
C13A Sr1 Si2 C7 -119.8(2) . . . . ?
Sr1 Sr1 Si2 C7 33.08(18) 2_775 . . . ?
O1 Sr1 Si2 C5A -15.29(11) . . . . ?
O2A Sr1 Si2 C5A -81.4(3) . . . . ?
O2 Sr1 Si2 C5A -88.0(3) . . . . ?
N1 Sr1 Si2 C5A 67.67(11) . . . . ?
C1A Sr1 Si2 C5A -151.6(5) . . . . ?
C1 Sr1 Si2 C5A 170.25(18) . . . . ?
C13A Sr1 Si2 C5A -29.0(2) . . . . ?
Sr1 Sr1 Si2 C5A 123.90(10) 2_775 . . . ?
O2A Sr1 O1 C10 90.5(7) . . . . ?
O2 Sr1 O1 C10 100.0(7) . . . . ?
N1 Sr1 O1 C10 -68.7(7) . . . . ?
C1A Sr1 O1 C10 40.9(8) . . . . ?
C1 Sr1 O1 C10 19.1(7) . . . . ?
C13A Sr1 O1 C10 167.5(8) . . . . ?
Si2 Sr1 O1 C10 15.0(7) . . . . ?
Sr1 Sr1 O1 C10 -139.1(7) 2_775 . . . ?
O2A Sr1 O1 C13A -77.0(4) . . . . ?
O2 Sr1 O1 C13A -67.4(4) . . . . ?
N1 Sr1 O1 C13A 123.8(4) . . . . ?
C1A Sr1 O1 C13A -126.6(5) . . . . ?
C1 Sr1 O1 C13A -148.4(4) . . . . ?
Si2 Sr1 O1 C13A -152.5(4) . . . . ?
Sr1 Sr1 O1 C13A 53.4(4) 2_775 . . . ?
O2A Sr1 O1 C10A 57.9(8) . . . . ?
O2 Sr1 O1 C10A 67.4(8) . . . . ?
N1 Sr1 O1 C10A -101.3(7) . . . . ?
C1A Sr1 O1 C10A 8.3(8) . . . . ?
C1 Sr1 O1 C10A -13.6(8) . . . . ?
C13A Sr1 O1 C10A 134.9(9) . . . . ?
Si2 Sr1 O1 C10A -17.7(7) . . . . ?
Sr1 Sr1 O1 C10A -171.7(7) 2_775 . . . ?
O2A Sr1 O1 C13 -115.4(6) . . . . ?
O2 Sr1 O1 C13 -105.9(6) . . . . ?
N1 Sr1 O1 C13 85.4(6) . . . . ?
C1A Sr1 O1 C13 -165.0(6) . . . . ?
C1 Sr1 O1 C13 173.1(6) . . . . ?
C13A Sr1 O1 C13 -38.4(5) . . . . ?
Si2 Sr1 O1 C13 169.0(5) . . . . ?
Sr1 Sr1 O1 C13 15.0(6) 2_775 . . . ?
O1 Sr1 O2 C14 124.7(13) . . . . ?
O2A Sr1 O2 C14 -167(5) . . . . ?
N1 Sr1 O2 C14 152.9(8) . . . . ?
C1A Sr1 O2 C14 -97.2(13) . . . . ?
C1 Sr1 O2 C14 -95.3(12) . . . . ?
C13A Sr1 O2 C14 101.7(12) . . . . ?
Si2 Sr1 O2 C14 -123.4(12) . . . . ?
Sr1 Sr1 O2 C14 32.3(14) 2_775 . . . ?
O1 Sr1 O2 C17 -67.6(9) . . . . ?
O2A Sr1 O2 C17 1(3) . . . . ?
N1 Sr1 O2 C17 -39.5(14) . . . . ?
C1A Sr1 O2 C17 70.5(10) . . . . ?
C1 Sr1 O2 C17 72.4(10) . . . . ?
C13A Sr1 O2 C17 -90.7(10) . . . . ?
Si2 Sr1 O2 C17 44.2(10) . . . . ?
Sr1 Sr1 O2 C17 -160.1(8) 2_775 . . . ?
O1 Sr1 O2A C17A -122.9(8) . . . . ?
O2 Sr1 O2A C17A 129(4) . . . . ?
N1 Sr1 O2A C17A -81.4(11) . . . . ?
C1A Sr1 O2A C17A 20.2(8) . . . . ?
C1 Sr1 O2A C17A 19.2(8) . . . . ?
C13A Sr1 O2A C17A -147.2(9) . . . . ?
Si2 Sr1 O2A C17A -7.9(8) . . . . ?
Sr1 Sr1 O2A C17A 150.1(6) 2_775 . . . ?
O1 Sr1 O2A C14A 69.7(8) . . . . ?
O2 Sr1 O2A C14A -39(3) . . . . ?
N1 Sr1 O2A C14A 111.3(7) . . . . ?
C1A Sr1 O2A C14A -147.2(9) . . . . ?
C1 Sr1 O2A C14A -148.1(8) . . . . ?
C13A Sr1 O2A C14A 45.4(8) . . . . ?
Si2 Sr1 O2A C14A -175.2(8) . . . . ?
Sr1 Sr1 O2A C14A -17.2(10) 2_775 . . . ?
O1 Sr1 N1 C8 10.6(2) . . . . ?
O2A Sr1 N1 C8 -28.2(5) . . . . ?
O2 Sr1 N1 C8 -16.4(7) . . . . ?
C1A Sr1 N1 C8 -120.2(3) . . . . ?
C1 Sr1 N1 C8 -129.2(2) . . . . ?
C13A Sr1 N1 C8 29.5(2) . . . . ?
Si2 Sr1 N1 C8 -101.3(2) . . . . ?
Sr1 Sr1 N1 C8 113.8(2) 2_775 . . . ?
O1 Sr1 N1 C9 146.70(19) . . . . ?
O2A Sr1 N1 C9 108.0(5) . . . . ?
O2 Sr1 N1 C9 119.7(6) . . . . ?
C1A Sr1 N1 C9 16.0(3) . . . . ?
C1 Sr1 N1 C9 6.9(2) . . . . ?
C13A Sr1 N1 C9 165.7(2) . . . . ?
Si2 Sr1 N1 C9 34.80(18) . . . . ?
Sr1 Sr1 N1 C9 -110.11(19) 2_775 . . . ?
O1 Sr1 N1 B1 -101.72(16) . . . . ?
O2A Sr1 N1 B1 -140.5(5) . . . . ?
O2 Sr1 N1 B1 -128.7(6) . . . . ?
C1A Sr1 N1 B1 127.5(3) . . . . ?
C1 Sr1 N1 B1 118.51(16) . . . . ?
C13A Sr1 N1 B1 -82.8(2) . . . . ?
Si2 Sr1 N1 B1 146.37(15) . . . . ?
Sr1 Sr1 N1 B1 1.47(14) 2_775 . . . ?
C1A Si1 C1 Si2 66.2(7) . . . . ?
C3A Si1 C1 Si2 -16.3(7) . . . . ?
C2 Si1 C1 Si2 -157.8(2) . . . . ?
C4A Si1 C1 Si2 140.1(6) . . . . ?
C3 Si1 C1 Si2 -37.6(3) . . . . ?
C4 Si1 C1 Si2 82.7(3) . . . . ?
C2A Si1 C1 Si2 -120.4(5) . . . . ?
C1A Si1 C1 Sr1 -70.7(7) . . . . ?
C3A Si1 C1 Sr1 -153.2(6) . . . . ?
C2 Si1 C1 Sr1 65.2(2) . . . . ?
C4A Si1 C1 Sr1 3.1(7) . . . . ?
C3 Si1 C1 Sr1 -174.6(2) . . . . ?
C4 Si1 C1 Sr1 -54.2(3) . . . . ?
C2A Si1 C1 Sr1 102.6(5) . . . . ?
C1A Si2 C1 Si1 -65.3(7) . . . . ?
C6 Si2 C1 Si1 -27.4(3) . . . . ?
C7 Si2 C1 Si1 94.1(2) . . . . ?
C5A Si2 C1 Si1 -151.30(18) . . . . ?
Sr1 Si2 C1 Si1 -141.6(3) . . . . ?
C1A Si2 C1 Sr1 76.2(7) . . . . ?
C6 Si2 C1 Sr1 114.18(16) . . . . ?
C7 Si2 C1 Sr1 -124.37(15) . . . . ?
C5A Si2 C1 Sr1 -9.73(18) . . . . ?
O1 Sr1 C1 Si1 134.57(14) . . . . ?
O2A Sr1 C1 Si1 71.3(2) . . . . ?
O2 Sr1 C1 Si1 62.1(2) . . . . ?
N1 Sr1 C1 Si1 -140.42(17) . . . . ?
C1A Sr1 C1 Si1 68.3(7) . . . . ?
C13A Sr1 C1 Si1 104.0(4) . . . . ?
Si2 Sr1 C1 Si1 142.6(3) . . . . ?
Sr1 Sr1 C1 Si1 -69.50(18) 2_775 . . . ?
O1 Sr1 C1 Si2 -8.0(2) . . . . ?
O2A Sr1 C1 Si2 -71.3(2) . . . . ?
O2 Sr1 C1 Si2 -80.4(2) . . . . ?
N1 Sr1 C1 Si2 77.00(14) . . . . ?
C1A Sr1 C1 Si2 -74.3(7) . . . . ?
C13A Sr1 C1 Si2 -38.6(4) . . . . ?
Sr1 Sr1 C1 Si2 147.93(10) 2_775 . . . ?
C13A O1 C10 C11 -10.7(14) . . . . ?
C10A O1 C10 C11 -76(2) . . . . ?
C13 O1 C10 C11 23.2(13) . . . . ?
Sr1 O1 C10 C11 -178.2(10) . . . . ?
O1 C10 C11 C12 -0.8(19) . . . . ?
C10 O1 C13 C12 -42.3(14) . . . . ?
C13A O1 C13 C12 75.2(14) . . . . ?
C10A O1 C13 C12 -18.2(14) . . . . ?
Sr1 O1 C13 C12 156.8(11) . . . . ?
C17 O2 C14 C15 -10.8(16) . . . . ?
Sr1 O2 C14 C15 157.5(13) . . . . ?
O2 C14 C15 C16 -5(2) . . . . ?
C14 C15 C16 C17 18(2) . . . . ?
C14 O2 C17 C16 22.4(15) . . . . ?
Sr1 O2 C17 C16 -148.5(10) . . . . ?
C15 C16 C17 O2 -24.2(18) . . . . ?
C1 Si1 C1A Si2 -64.0(7) . . . . ?
C3A Si1 C1A Si2 50.6(9) . . . . ?
C2 Si1 C1A Si2 -120.0(6) . . . . ?
C4A Si1 C1A Si2 175.8(7) . . . . ?
C3 Si1 C1A Si2 27.1(9) . . . . ?
C4 Si1 C1A Si2 131.1(7) . . . . ?
C2A Si1 C1A Si2 -71.0(8) . . . . ?
C1 Si1 C1A Sr1 71.7(7) . . . . ?
C3A Si1 C1A Sr1 -173.7(6) . . . . ?
C2 Si1 C1A Sr1 15.7(8) . . . . ?
C4A Si1 C1A Sr1 -48.5(8) . . . . ?
C3 Si1 C1A Sr1 162.8(4) . . . . ?
C4 Si1 C1A Sr1 -93.1(5) . . . . ?
C2A Si1 C1A Sr1 64.8(7) . . . . ?
C1 Si2 C1A Si1 64.6(7) . . . . ?
C6 Si2 C1A Si1 -82.5(6) . . . . ?
C7 Si2 C1A Si1 37.3(9) . . . . ?
C5A Si2 C1A Si1 168.3(5) . . . . ?
Sr1 Si2 C1A Si1 140.8(9) . . . . ?
C1 Si2 C1A Sr1 -76.2(7) . . . . ?
C6 Si2 C1A Sr1 136.7(3) . . . . ?
C7 Si2 C1A Sr1 -103.5(4) . . . . ?
C5A Si2 C1A Sr1 27.5(5) . . . . ?
O1 Sr1 C1A Si1 161.5(4) . . . . ?
O2A Sr1 C1A Si1 113.9(6) . . . . ?
O2 Sr1 C1A Si1 104.5(6) . . . . ?
N1 Sr1 C1A Si1 -99.6(5) . . . . ?
C1 Sr1 C1A Si1 -69.2(8) . . . . ?
C13A Sr1 C1A Si1 132.2(5) . . . . ?
Si2 Sr1 C1A Si1 -141.3(9) . . . . ?
Sr1 Sr1 C1A Si1 -18.6(7) 2_775 . . . ?
O1 Sr1 C1A Si2 -57.3(6) . . . . ?
O2A Sr1 C1A Si2 -104.9(5) . . . . ?
O2 Sr1 C1A Si2 -114.2(5) . . . . ?
N1 Sr1 C1A Si2 41.7(5) . . . . ?
C1 Sr1 C1A Si2 72.1(7) . . . . ?
C13A Sr1 C1A Si2 -86.5(6) . . . . ?
Sr1 Sr1 C1A Si2 122.7(3) 2_775 . . . ?
C10 O1 C10A C11A 95(3) . . . . ?
C13A O1 C10A C11A -26.5(13) . . . . ?
C13 O1 C10A C11A 9.7(14) . . . . ?
Sr1 O1 C10A C11A -164.7(10) . . . . ?
O1 C10A C11A C12A 11(2) . . . . ?
C13A C12A C11A C10A 9(2) . . . . ?
O1 C13 C12 C11 42.0(16) . . . . ?
C10 C11 C12 C13 -25(2) . . . . ?
C10 O1 C13A C12A 10.5(15) . . . . ?
C10A O1 C13A C12A 32.7(15) . . . . ?
C13 O1 C13A C12A -61.9(14) . . . . ?
Sr1 O1 C13A C12A -179.5(13) . . . . ?
C10 O1 C13A Sr1 -170.0(7) . . . . ?
C10A O1 C13A Sr1 -147.9(6) . . . . ?
C13 O1 C13A Sr1 117.6(7) . . . . ?
C11A C12A C13A O1 -25.6(19) . . . . ?
C11A C12A C13A Sr1 -26(4) . . . . ?
O2A Sr1 C13A O1 93.9(4) . . . . ?
O2 Sr1 C13A O1 104.4(4) . . . . ?
N1 Sr1 C13A O1 -56.6(4) . . . . ?
C1A Sr1 C13A O1 74.5(5) . . . . ?
C1 Sr1 C13A O1 58.0(6) . . . . ?
Si2 Sr1 C13A O1 34.7(4) . . . . ?
Sr1 Sr1 C13A O1 -127.9(4) 2_775 . . . ?
O1 Sr1 C13A C12A 1(3) . . . . ?
O2A Sr1 C13A C12A 95(3) . . . . ?
O2 Sr1 C13A C12A 106(3) . . . . ?
N1 Sr1 C13A C12A -56(3) . . . . ?
C1A Sr1 C13A C12A 76(3) . . . . ?
C1 Sr1 C13A C12A 59(3) . . . . ?
Si2 Sr1 C13A C12A 36(3) . . . . ?
Sr1 Sr1 C13A C12A -127(3) 2_775 . . . ?
C17A O2A C14A C15A -34.3(11) . . . . ?
Sr1 O2A C14A C15A 135.3(9) . . . . ?
O2A C14A C15A C16A 35.4(11) . . . . ?
C14A C15A C16A C17A -24.9(11) . . . . ?
C14A O2A C17A C16A 18.0(11) . . . . ?
Sr1 O2A C17A C16A -150.6(8) . . . . ?
C15A C16A C17A O2A 4.6(12) . . . . ?
