#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:55:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179161 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/22/4312245.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_4312245
loop_
_publ_author_name
'Stuart Blair'
'Keith Izod'
'William Clegg'
'Ross W. Harrington'
_publ_section_title
;
 Complexes of the Heavier Alkaline Earth Metals Ca, Sr, and Ba with
 O-Functionalized Phosphanide Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8526
_journal_page_last               8531
_journal_paper_doi               10.1021/ic048978a
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C36 H68 O4 P2 Si4 Sr'
_chemical_formula_weight         826.82
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.7600(16)
_cell_length_b                   12.3207(9)
_cell_length_c                   18.0165(14)
_cell_measurement_reflns_used    6418
_cell_measurement_temperature    160(2)
_cell_measurement_theta_max      28.36
_cell_measurement_theta_min      2.80
_cell_volume                     4608.2(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL and local programs'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.944
_diffrn_measured_fraction_theta_max 0.944
_diffrn_measurement_device_type  'Bruker SMART 1K CCD diffractometer'
_diffrn_measurement_method       'fine-slice ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0358
_diffrn_reflns_av_sigmaI/netI    0.0484
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            36861
_diffrn_reflns_theta_full        28.51
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         1.65
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.375
_exptl_absorpt_correction_T_max  0.734
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.192
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1760
_exptl_crystal_size_max          0.42
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.407
_refine_diff_density_min         -0.357
_refine_diff_density_rms         0.044
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.018(4)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     476
_refine_ls_number_reflns         10542
_refine_ls_number_restraints     259
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.0411
_refine_ls_R_factor_gt           0.0291
_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)+(0.0257P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0580
_refine_ls_wR_factor_ref         0.0607
_reflns_number_gt                8819
_reflns_number_total             10542
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic048978asi20040728_063537_1.cif
_cod_data_source_block           5
_cod_database_code               4312245
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, 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
Sr Sr 0.369624(9) 0.627679(15) 0.285619(17) 0.02841(5) Uani 1 1 d . A .
P1 P 0.33549(3) 0.44893(4) 0.39573(3) 0.02888(13) Uani 1 1 d . . .
C1 C 0.41818(11) 0.44888(18) 0.42747(12) 0.0285(5) Uani 1 1 d . . .
C2 C 0.45587(11) 0.3578(2) 0.44675(13) 0.0347(6) Uani 1 1 d . . .
H2 H 0.4364 0.2881 0.4470 0.042 Uiso 1 1 calc R . .
C3 C 0.52059(12) 0.3669(2) 0.46542(15) 0.0448(6) Uani 1 1 d . . .
H3 H 0.5441 0.3036 0.4785 0.054 Uiso 1 1 calc R . .
C4 C 0.55137(13) 0.4670(3) 0.46532(17) 0.0529(8) Uani 1 1 d . . .
H4 H 0.5960 0.4723 0.4763 0.063 Uiso 1 1 calc R . .
C5 C 0.51587(13) 0.5580(2) 0.44904(15) 0.0451(7) Uani 1 1 d . . .
H5 H 0.5358 0.6274 0.4497 0.054 Uiso 1 1 calc R . .
C6 C 0.45166(11) 0.5490(2) 0.43181(13) 0.0325(5) Uani 1 1 d . . .
O1 O 0.41745(8) 0.64498(12) 0.41374(9) 0.0367(4) Uani 1 1 d . . .
C7 C 0.38623(14) 0.6926(2) 0.47779(14) 0.0468(7) Uani 1 1 d . . .
H7A H 0.3542 0.6418 0.4974 0.070 Uiso 1 1 calc R . .
H7B H 0.3649 0.7603 0.4632 0.070 Uiso 1 1 calc R . .
H7C H 0.4185 0.7079 0.5161 0.070 Uiso 1 1 calc R . .
C8 C 0.31457(10) 0.30094(17) 0.38501(13) 0.0251(5) Uani 1 1 d . . .
H8 H 0.3563 0.2608 0.3818 0.030 Uiso 1 1 calc R . .
Si1 Si 0.27347(3) 0.28256(5) 0.29354(4) 0.03343(14) Uani 1 1 d . . .
C9 C 0.33583(15) 0.2879(3) 0.21847(16) 0.0528(8) Uani 1 1 d . . .
H9A H 0.3580 0.3580 0.2202 0.079 Uiso 1 1 calc R . .
H9B H 0.3150 0.2790 0.1701 0.079 Uiso 1 1 calc R . .
H9C H 0.3671 0.2293 0.2259 0.079 Uiso 1 1 calc R . .
C10 C 0.21047(12) 0.3881(2) 0.27491(17) 0.0488(7) Uani 1 1 d . . .
H10A H 0.1826 0.3957 0.3185 0.073 Uiso 1 1 calc R . .
H10B H 0.1845 0.3662 0.2321 0.073 Uiso 1 1 calc R . .
H10C H 0.2314 0.4578 0.2644 0.073 Uiso 1 1 calc R . .
C11 C 0.23314(13) 0.1474(2) 0.2841(2) 0.0548(7) Uani 1 1 d . . .
H11A H 0.2643 0.0896 0.2945 0.082 Uiso 1 1 calc R . .
H11B H 0.2166 0.1391 0.2335 0.082 Uiso 1 1 calc R . .
H11C H 0.1974 0.1426 0.3195 0.082 Uiso 1 1 calc R . .
Si2 Si 0.27299(3) 0.25148(5) 0.47125(4) 0.03289(15) Uani 1 1 d . . .
C12 C 0.18888(13) 0.3059(3) 0.47434(16) 0.0548(8) Uani 1 1 d . . .
H12A H 0.1898 0.3847 0.4673 0.082 Uiso 1 1 calc R . .
H12B H 0.1695 0.2890 0.5226 0.082 Uiso 1 1 calc R . .
H12C H 0.1633 0.2724 0.4348 0.082 Uiso 1 1 calc R . .
C13 C 0.27023(16) 0.0993(2) 0.47215(19) 0.0595(8) Uani 1 1 d . . .
H13A H 0.2497 0.0733 0.4265 0.089 Uiso 1 1 calc R . .
H13B H 0.2454 0.0746 0.5152 0.089 Uiso 1 1 calc R . .
H13C H 0.3142 0.0706 0.4752 0.089 Uiso 1 1 calc R . .
C14 C 0.31558(13) 0.2949(3) 0.55747(14) 0.0462(7) Uani 1 1 d . . .
H14A H 0.3592 0.2644 0.5578 0.069 Uiso 1 1 calc R . .
H14B H 0.2919 0.2687 0.6010 0.069 Uiso 1 1 calc R . .
H14C H 0.3181 0.3743 0.5589 0.069 Uiso 1 1 calc R . .
P2 P 0.39503(3) 0.81051(5) 0.17740(4) 0.03039(13) Uani 1 1 d . . .
C15 C 0.31029(11) 0.82257(19) 0.15675(12) 0.0276(5) Uani 1 1 d . . .
C16 C 0.27487(11) 0.9189(2) 0.14472(13) 0.0325(5) Uani 1 1 d . . .
H16 H 0.2973 0.9861 0.1457 0.039 Uiso 1 1 calc R . .
C17 C 0.20935(11) 0.9202(2) 0.13157(14) 0.0397(6) Uani 1 1 d . . .
H17 H 0.1879 0.9875 0.1244 0.048 Uiso 1 1 calc R . .
C18 C 0.17472(12) 0.8247(2) 0.12876(15) 0.0432(6) Uani 1 1 d . . .
H18 H 0.1297 0.8253 0.1195 0.052 Uiso 1 1 calc R . .
C19 C 0.20704(12) 0.7284(2) 0.13976(14) 0.0395(6) Uani 1 1 d . . .
H19 H 0.1840 0.6618 0.1382 0.047 Uiso 1 1 calc R . .
C20 C 0.27233(11) 0.72769(19) 0.15294(13) 0.0309(5) Uani 1 1 d . . .
O2 O 0.30343(8) 0.62752(12) 0.16637(10) 0.0378(4) Uani 1 1 d . . .
C21 C 0.3108(2) 0.5625(3) 0.10190(18) 0.0827(12) Uani 1 1 d . . .
H21A H 0.2683 0.5444 0.0818 0.124 Uiso 1 1 calc R . .
H21B H 0.3338 0.4956 0.1148 0.124 Uiso 1 1 calc R . .
H21C H 0.3355 0.6027 0.0646 0.124 Uiso 1 1 calc R . .
C22 C 0.42514(11) 0.95484(18) 0.18490(13) 0.0302(5) Uani 1 1 d . . .
H22 H 0.3865 1.0016 0.1938 0.036 Uiso 1 1 calc R . .
Si3 Si 0.47694(3) 0.96522(7) 0.27014(4) 0.04463(19) Uani 1 1 d . . .
C23 C 0.42520(16) 0.9611(3) 0.35488(15) 0.0675(10) Uani 1 1 d . . .
H23A H 0.3962 1.0238 0.3549 0.101 Uiso 1 1 calc R . .
H23B H 0.4525 0.9632 0.3992 0.101 Uiso 1 1 calc R . .
H23C H 0.3998 0.8940 0.3549 0.101 Uiso 1 1 calc R . .
C24 C 0.53667(14) 0.8530(3) 0.2780(3) 0.0789(11) Uani 1 1 d . . .
H24A H 0.5145 0.7831 0.2732 0.118 Uiso 1 1 calc R . .
H24B H 0.5581 0.8569 0.3264 0.118 Uiso 1 1 calc R . .
H24C H 0.5688 0.8600 0.2385 0.118 Uiso 1 1 calc R . .
C25 C 0.52220(15) 1.0972(3) 0.2745(2) 0.0736(10) Uani 1 1 d . . .
H25A H 0.5560 1.0977 0.2364 0.110 Uiso 1 1 calc R . .
H25B H 0.5418 1.1053 0.3236 0.110 Uiso 1 1 calc R . .
H25C H 0.4924 1.1575 0.2656 0.110 Uiso 1 1 calc R . .
Si4 Si 0.45953(3) 0.99692(6) 0.09320(4) 0.03413(15) Uani 1 1 d . . .
C26 C 0.53832(13) 0.9260(3) 0.07750(17) 0.0557(8) Uani 1 1 d . . .
H26A H 0.5698 0.9511 0.1142 0.084 Uiso 1 1 calc R . .
H26B H 0.5541 0.9424 0.0275 0.084 Uiso 1 1 calc R . .
H26C H 0.5323 0.8475 0.0826 0.084 Uiso 1 1 calc R . .
C27 C 0.47271(15) 1.1483(2) 0.08800(19) 0.0556(8) Uani 1 1 d . . .
H27A H 0.4326 1.1860 0.1005 0.083 Uiso 1 1 calc R . .
H27B H 0.4860 1.1682 0.0376 0.083 Uiso 1 1 calc R . .
H27C H 0.5064 1.1694 0.1232 0.083 Uiso 1 1 calc R . .
C28 C 0.40503(13) 0.9628(3) 0.01398(15) 0.0500(7) Uani 1 1 d . . .
H28A H 0.3912 0.8870 0.0181 0.075 Uiso 1 1 calc R . .
H28B H 0.4281 0.9733 -0.0329 0.075 Uiso 1 1 calc R . .
H28C H 0.3672 1.0103 0.0153 0.075 Uiso 1 1 calc R . .
O3 O 0.27380(8) 0.72477(13) 0.34276(11) 0.0429(4) Uani 1 1 d DU . .
C29 C 0.26139(13) 0.8402(2) 0.34485(18) 0.0466(7) Uani 1 1 d DU A .
H29A H 0.2807 0.8762 0.3010 0.056 Uiso 1 1 calc R . .
H29B H 0.2802 0.8726 0.3902 0.056 Uiso 1 1 calc R . .
C30 C 0.19138(14) 0.8544(2) 0.3446(2) 0.0624(9) Uani 1 1 d DU . .
H30A H 0.1737 0.8540 0.2936 0.075 Uiso 0.635(17) 1 calc PR A 1
H30B H 0.1784 0.9222 0.3700 0.075 Uiso 0.635(17) 1 calc PR A 1
H30C H 0.1758 0.8756 0.2947 0.075 Uiso 0.365(17) 1 calc PR A 2
H30D H 0.1781 0.9104 0.3809 0.075 Uiso 0.365(17) 1 calc PR A 2
C31X C 0.1706(6) 0.7526(7) 0.3887(10) 0.118(5) Uani 0.635(17) 1 d PDU A 1
H31A H 0.1791 0.7610 0.4425 0.142 Uiso 0.635(17) 1 calc PR A 1
H31B H 0.1244 0.7358 0.3810 0.142 Uiso 0.635(17) 1 calc PR A 1
C32X C 0.2130(3) 0.6684(5) 0.3549(6) 0.054(2) Uani 0.635(17) 1 d PDU A 1
H32A H 0.2187 0.6060 0.3889 0.065 Uiso 0.635(17) 1 calc PR A 1
H32B H 0.1948 0.6419 0.3074 0.065 Uiso 0.635(17) 1 calc PR A 1
C31Y C 0.1658(6) 0.7444(11) 0.3663(11) 0.063(4) Uani 0.365(17) 1 d PDU A 2
H31C H 0.1329 0.7511 0.4059 0.076 Uiso 0.365(17) 1 calc PR A 2
H31D H 0.1462 0.7074 0.3230 0.076 Uiso 0.365(17) 1 calc PR A 2
C32Y C 0.2233(6) 0.6828(13) 0.3938(11) 0.067(4) Uani 0.365(17) 1 d PDU A 2
H32C H 0.2331 0.7001 0.4462 0.081 Uiso 0.365(17) 1 calc PR A 2
H32D H 0.2174 0.6034 0.3884 0.081 Uiso 0.365(17) 1 calc PR A 2
O4 O 0.46560(10) 0.53092(17) 0.22938(11) 0.0592(6) Uani 1 1 d DU . .
C33 C 0.50142(15) 0.4417(3) 0.25858(17) 0.0627(9) Uani 1 1 d DU A .
H33A H 0.4759 0.3740 0.2551 0.075 Uiso 0.533(11) 1 calc PR B 1
H33B H 0.5122 0.4547 0.3114 0.075 Uiso 0.533(11) 1 calc PR B 1
H33C H 0.4724 0.3844 0.2777 0.075 Uiso 0.467(11) 1 calc PR B 2
H33D H 0.5306 0.4654 0.2989 0.075 Uiso 0.467(11) 1 calc PR B 2
C34X C 0.5610(3) 0.4322(7) 0.2140(5) 0.055(2) Uani 0.533(11) 1 d PDU A 1
H34A H 0.5988 0.4560 0.2432 0.066 Uiso 0.533(11) 1 calc PR B 1
H34B H 0.5678 0.3561 0.1981 0.066 Uiso 0.533(11) 1 calc PR B 1
C35 C 0.55156(17) 0.5032(3) 0.1489(2) 0.0765(10) Uani 1 1 d DU . .
H35A H 0.5611 0.4635 0.1024 0.092 Uiso 0.533(11) 1 calc PR A 1
H35B H 0.5800 0.5675 0.1519 0.092 Uiso 0.533(11) 1 calc PR B 1
H35C H 0.5977 0.5228 0.1526 0.092 Uiso 0.467(11) 1 calc PR B 2
H35D H 0.5412 0.4902 0.0960 0.092 Uiso 0.467(11) 1 calc PR B 2
C36X C 0.4811(4) 0.5372(8) 0.1512(3) 0.062(3) Uani 0.533(11) 1 d PDU A 1
H36A H 0.4755 0.6120 0.1321 0.075 Uiso 0.533(11) 1 calc PR B 1
H36B H 0.4540 0.4871 0.1217 0.075 Uiso 0.533(11) 1 calc PR B 1
C34Y C 0.5383(6) 0.4028(7) 0.1934(6) 0.069(3) Uani 0.467(11) 1 d PDU A 2
H34C H 0.5128 0.3500 0.1643 0.083 Uiso 0.467(11) 1 calc PR B 2
H34D H 0.5791 0.3678 0.2091 0.083 Uiso 0.467(11) 1 calc PR B 2
C36Y C 0.5140(5) 0.5867(6) 0.1762(5) 0.056(2) Uani 0.467(11) 1 d PDU A 2
H36C H 0.4911 0.6243 0.1354 0.068 Uiso 0.467(11) 1 calc PR B 2
H36D H 0.5407 0.6402 0.2032 0.068 Uiso 0.467(11) 1 calc PR B 2
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'
P P 0.1023 0.0942 '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
P1 Sr O1 63.69(4) . . ?
P1 Sr P2 176.419(17) . . ?
P1 Sr O2 114.99(4) . . ?
P1 Sr O3 83.93(4) . . ?
P1 Sr O4 95.92(4) . . ?
O1 Sr P2 117.27(4) . . ?
O1 Sr O2 169.52(6) . . ?
O1 Sr O3 84.12(6) . . ?
O1 Sr O4 95.52(6) . . ?
P2 Sr O2 63.36(4) . . ?
P2 Sr O3 92.70(4) . . ?
P2 Sr O4 87.45(4) . . ?
O2 Sr O3 85.40(6) . . ?
O2 Sr O4 94.96(6) . . ?
O3 Sr O4 179.64(7) . . ?
Sr P1 C1 89.16(7) . . ?
Sr P1 C8 133.33(8) . . ?
C1 P1 C8 104.52(10) . . ?
P1 C1 C2 127.17(18) . . ?
P1 C1 C6 118.82(17) . . ?
C2 C1 C6 114.0(2) . . ?
C1 C2 C3 122.2(2) . . ?
C2 C3 C4 121.0(2) . . ?
C3 C4 C5 118.6(2) . . ?
C4 C5 C6 120.2(3) . . ?
C1 C6 C5 124.0(2) . . ?
C1 C6 O1 117.9(2) . . ?
C5 C6 O1 118.1(2) . . ?
Sr O1 C6 109.70(13) . . ?
Sr O1 C7 125.99(15) . . ?
C6 O1 C7 112.27(18) . . ?
P1 C8 Si1 108.23(11) . . ?
P1 C8 Si2 109.57(12) . . ?
Si1 C8 Si2 118.68(12) . . ?
C8 Si1 C9 108.47(13) . . ?
C8 Si1 C10 113.08(12) . . ?
C8 Si1 C11 113.06(14) . . ?
C9 Si1 C10 109.18(14) . . ?
C9 Si1 C11 105.95(16) . . ?
C10 Si1 C11 106.81(12) . . ?
C8 Si2 C12 109.70(12) . . ?
C8 Si2 C13 110.20(13) . . ?
C8 Si2 C14 112.20(11) . . ?
C12 Si2 C13 109.22(15) . . ?
C12 Si2 C14 108.36(12) . . ?
C13 Si2 C14 107.08(15) . . ?
Sr P2 C15 91.39(7) . . ?
Sr P2 C22 135.42(8) . . ?
C15 P2 C22 105.05(10) . . ?
P2 C15 C16 127.46(18) . . ?
P2 C15 C20 119.09(17) . . ?
C16 C15 C20 113.4(2) . . ?
C15 C16 C17 123.3(2) . . ?
C16 C17 C18 120.6(2) . . ?
C17 C18 C19 118.4(2) . . ?
C18 C19 C20 120.7(2) . . ?
C15 C20 C19 123.6(2) . . ?
C15 C20 O2 117.4(2) . . ?
C19 C20 O2 119.0(2) . . ?
Sr O2 C20 112.93(13) . . ?
Sr O2 C21 129.18(17) . . ?
C20 O2 C21 113.7(2) . . ?
P2 C22 Si3 108.16(12) . . ?
P2 C22 Si4 108.87(12) . . ?
Si3 C22 Si4 118.93(12) . . ?
C22 Si3 C23 109.69(11) . . ?
C22 Si3 C24 113.12(16) . . ?
C22 Si3 C25 112.25(14) . . ?
C23 Si3 C24 107.49(19) . . ?
C23 Si3 C25 106.10(16) . . ?
C24 Si3 C25 107.85(16) . . ?
C22 Si4 C26 109.68(12) . . ?
C22 Si4 C27 111.87(13) . . ?
C22 Si4 C28 112.36(11) . . ?
C26 Si4 C27 109.04(14) . . ?
C26 Si4 C28 107.94(14) . . ?
C27 Si4 C28 105.79(14) . . ?
Sr O3 C29 127.84(14) . . ?
Sr O3 C32X 121.0(3) . . ?
Sr O3 C32Y 129.7(5) . . ?
C29 O3 C32X 108.1(3) . . ?
C29 O3 C32Y 101.6(6) . . ?
O3 C29 C30 107.1(2) . . ?
C29 C30 C31X 100.3(5) . . ?
C29 C30 C31Y 104.0(5) . . ?
C30 C31X C32X 100.9(8) . . ?
O3 C32X C31X 103.9(6) . . ?
C30 C31Y C32Y 105.1(9) . . ?
O3 C32Y C31Y 100.4(9) . . ?
Sr O4 C33 128.66(15) . . ?
Sr O4 C36X 122.6(2) . . ?
Sr O4 C36Y 123.3(2) . . ?
C33 O4 C36X 106.5(3) . . ?
C33 O4 C36Y 103.4(3) . . ?
O4 C33 C34X 107.2(4) . . ?
O4 C33 C34Y 103.1(4) . . ?
C33 C34X C35 105.9(4) . . ?
C34X C35 C36X 105.6(4) . . ?
C34Y C35 C36Y 108.7(4) . . ?
O4 C36X C35 103.0(4) . . ?
C33 C34Y C35 104.6(5) . . ?
O4 C36Y C35 104.8(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
Sr P1 3.0476(6) . ?
Sr O1 2.5218(17) . ?
Sr P2 3.0255(7) . ?
Sr O2 2.5504(17) . ?
Sr O3 2.5393(16) . ?
Sr O4 2.5333(17) . ?
P1 C1 1.809(2) . ?
P1 C8 1.884(2) . ?
C1 C2 1.411(3) . ?
C1 C6 1.418(3) . ?
C2 C3 1.389(3) . ?
C3 C4 1.389(4) . ?
C4 C5 1.374(4) . ?
C5 C6 1.373(3) . ?
C6 O1 1.417(3) . ?
O1 C7 1.448(3) . ?
C8 Si1 1.870(2) . ?
C8 Si2 1.879(2) . ?
Si1 C9 1.873(3) . ?
Si1 C10 1.875(2) . ?
Si1 C11 1.872(2) . ?
Si2 C12 1.871(3) . ?
Si2 C13 1.875(3) . ?
Si2 C14 1.866(3) . ?
P2 C15 1.804(2) . ?
P2 C22 1.890(2) . ?
C15 C16 1.413(3) . ?
C15 C20 1.411(3) . ?
C16 C17 1.381(3) . ?
C17 C18 1.380(4) . ?
C18 C19 1.377(4) . ?
C19 C20 1.376(3) . ?
C20 O2 1.414(3) . ?
O2 C21 1.419(3) . ?
C22 Si3 1.879(2) . ?
C22 Si4 1.873(2) . ?
Si3 C23 1.867(3) . ?
Si3 C24 1.862(3) . ?
Si3 C25 1.880(3) . ?
Si4 C26 1.876(3) . ?
Si4 C27 1.888(3) . ?
Si4 C28 1.869(3) . ?
O3 C29 1.446(3) . ?
O3 C32X 1.458(6) . ?
O3 C32Y 1.487(9) . ?
C29 C30 1.464(4) . ?
C30 C31X 1.547(9) . ?
C30 C31Y 1.507(11) . ?
C31X C32X 1.491(10) . ?
C31Y C32Y 1.498(12) . ?
O4 C33 1.428(3) . ?
O4 C36X 1.448(5) . ?
O4 C36Y 1.549(7) . ?
C33 C34X 1.479(7) . ?
C33 C34Y 1.481(8) . ?
C34X C35 1.477(8) . ?
C35 C36X 1.521(7) . ?
C35 C34Y 1.501(8) . ?
C35 C36Y 1.381(7) . ?
