#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:20:55 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178744 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/55/4085572.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_4085572
loop_
_publ_author_name
'Izod, Keith'
'Wills, Corinne'
'El-Hamruni, Salima'
'Harrington, Ross W.'
'Waddell, Paul G.'
'Probert, Michael R.'
_publ_section_title
;
 Structural Diversity in Alkaline Earth Metal Complexes of a
 Phosphine-Borane-Stabilized 1,3-Dicarbanion
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2406
_journal_paper_doi               10.1021/om501183p
_journal_volume                  34
_journal_year                    2015
_chemical_formula_moiety         'C44 H88.95 B2 O4 P2 Si4 Sr2'
_chemical_formula_sum            'C44 H88 B2 O4 P2 Si4 Sr2'
_chemical_formula_weight         1052.30
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_audit_creation_date             2014-11-18
_audit_creation_method
;
Olex2 1.2-alpha
(compiled 2014.11.07 svn.r3078 for OlexSys, GUI svn.r4941)
;
_cell_angle_alpha                90
_cell_angle_beta                 109.3466(16)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.90180(16)
_cell_length_b                   18.8304(2)
_cell_length_c                   13.3818(2)
_cell_measurement_reflns_used    28723
_cell_measurement_temperature    150.00(10)
_cell_measurement_theta_max      66.2210
_cell_measurement_theta_min      4.1530
_cell_volume                     2829.72(7)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
;
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XT (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 10.3968
_diffrn_detector_type            Atlas
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
  1 omega   -3.00   23.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       32.0000   83.0000   43.8774 26

  2 omega   16.00   78.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       41.8457   38.0000  150.0000 62

  3 omega   -3.00   96.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       41.8457 -125.0000 -180.0000 99

  4 omega   14.00   96.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       41.8457   57.0000  -30.0000 82

  5 omega   81.00  114.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       41.8457   38.0000  150.0000 33

  6 omega   15.00   58.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       41.8457   38.0000  -60.0000 43

  7 omega   65.00  122.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       44.0000   78.0000  147.7688 57

  8 omega   10.00   41.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       44.0000   78.0000  147.7688 31

  9 omega   98.00  127.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       48.0000   79.0000  -45.6687 29

 10 omega   14.00   41.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       48.0000   79.0000 -144.5324 27

 11 omega   15.00   42.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       48.0000   79.0000  -45.6687 27

 12 omega   71.00  126.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       48.0000   79.0000 -144.5324 55

 13 omega   17.00  126.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       48.0000   79.0000   41.0257 109

 14 omega   22.00   61.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000   79.0000  -14.9107 39

 15 omega   92.00  119.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000   79.0000  -14.9107 27

 16 omega   27.00   54.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       60.0000   76.0000 -163.0339 27

 17 omega   28.00   55.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       60.0000   77.0000 -109.0965 27

 18 omega   30.00   65.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   77.0000  153.0469 35

 19 omega   30.00   59.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   79.0000  -79.2217 29

 20 omega   30.00   56.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   79.0000   73.8793 26

 21 omega   30.00   56.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   79.0000   43.7329 26

 22 omega  117.00  142.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   79.0000   43.7329 25

 23 omega  117.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   79.0000   73.8793 27

 24 omega  117.00  143.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   77.0000  153.0469 26

 25 omega   35.00   60.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       68.0000   78.0000  -39.0211 25

 26 omega   35.00   60.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       68.0000   79.0000 -149.8946 25

 27 omega   34.00   60.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       68.0000   79.0000   98.3481 26

 28 omega   38.00   64.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       72.0000   79.0000 -173.2278 26

 29 omega  105.00  151.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       72.0000   79.0000  103.5633 46

 30 omega   38.00   69.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       72.0000   79.0000  103.5633 31

 31 omega   38.00   65.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       72.0000   78.0000   -4.3730 27

 32 omega   59.00   98.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -120.0000 39

 33 omega  100.00  169.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000  -60.0000 69

 34 omega   83.00  155.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000    0.0000 72

 35 omega   69.00  143.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000   60.0000 74

 36 omega   59.00  123.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -60.0000 64

 37 omega   95.00  124.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -91.0000  -39.5745 29

 38 omega   28.00   68.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -91.0000  -39.5745 40

 39 omega   59.00   87.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   30.0000 28

 40 omega   69.00  131.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000   69.1496 62

 41 omega   12.00   39.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000   69.1496 27

 42 omega   30.00  122.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  150.0000 92

 43 omega  107.00  160.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   60.0000 53

 44 omega   87.00  129.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  130.8164 42

 45 omega   59.00   86.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   60.0000 27

 46 omega  130.00  170.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -90.0000 40

 47 omega    9.00   78.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000  130.8164 69

 48 omega   59.00   87.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -90.0000 28

 49 omega   96.00  162.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000  150.0000 66

 50 omega   66.00  121.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000    0.0000 55

 51 omega  123.00  150.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  120.0000 27

 52 omega   92.00  119.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   30.0000 27

 53 omega   60.00   96.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000    0.0000 36

 54 omega   99.00  130.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000    0.0000 31

 55 omega   68.00  120.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000 -104.1317 52

 56 omega   59.00  100.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  120.0000 41

 57 omega  137.00  165.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -60.0000 28

 58 omega   63.00   95.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000  -60.0000 32

 59 omega  143.00  171.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -180.0000 28

 60 omega   59.00   95.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -30.0000 36

 61 omega  112.00  171.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  -30.0000 59

 62 omega    9.00   51.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -93.0000 -104.1317 42

 63 omega   67.00   94.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000 -120.0000 27

 64 omega   90.00  131.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -180.0000 41

 65 omega   72.00  121.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -77.0000  -90.0000 49

 66 omega   59.00   86.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -180.0000 27

 67 omega   84.00  165.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000   30.0000 81

 68 omega   22.00   83.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000  120.0000 61

 69 omega  142.00  169.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -150.0000 27

 70 omega   73.00  152.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000   90.0000 79

 71 omega   59.00  108.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000 -150.0000 49

 72 omega  118.00  153.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000  120.0000 35

 73 omega   73.00  116.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000  120.0000 43

 74 omega  121.00  154.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  150.0000 33

 75 omega   69.00  155.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000 -150.0000 86

 76 omega   63.00  111.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000  -30.0000 48

 77 omega  132.00  162.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   30.0000  -30.0000 30

 78 omega   22.00   51.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -77.0000  -90.0000 29

 79 omega   19.00   59.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -45.0000 -180.0000 40

 80 omega   60.00   99.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000  150.0000 39

 81 omega  119.00  146.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000   90.0000 27

 82 omega  125.00  166.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   90.0000 41

 83 omega  114.00  164.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000 -120.0000 50

 84 omega   69.00  122.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000  120.0000 53

 85 omega  136.00  167.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   61.0000  120.0000 31

 86 omega   30.00   64.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  -61.0000    0.0000 34

 87 omega   75.00  107.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000  125.0000   90.0000 32

 88 omega   59.00   86.00   1.0000    8.0000
omega____ theta____ kappa____ phi______ frames
    -       92.5000   77.0000   90.0000 27

 89 omega  -99.00  -18.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -      -41.8457  125.0000  -30.0000 81

 90 omega   22.00  136.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000   79.0000  122.0551 114

 91 omega   22.00  136.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       56.0000   79.0000  176.9658 114

 92 omega   26.00  139.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       60.0000   77.0000   45.3885 113

 93 omega   26.00  139.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       60.0000   77.0000 -131.3514 113

 94 omega   30.00  144.00   1.0000    2.0000
omega____ theta____ kappa____ phi______ frames
    -       64.0000   79.0000  -79.2217 114
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini ultra'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_UB_11      -0.0560671000
_diffrn_orient_matrix_UB_12      -0.0728930000
_diffrn_orient_matrix_UB_13      0.0061276000
_diffrn_orient_matrix_UB_21      0.0768091000
_diffrn_orient_matrix_UB_22      -0.0339707000
_diffrn_orient_matrix_UB_23      -0.0599386000
_diffrn_orient_matrix_UB_31      0.0988401000
_diffrn_orient_matrix_UB_32      -0.0149630000
_diffrn_orient_matrix_UB_33      0.1061415000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0616
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_Laue_measured_fraction_full 0.983
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            77503
_diffrn_reflns_point_group_measured_fraction_full 0.983
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.000
_diffrn_reflns_theta_max         66.297
_diffrn_reflns_theta_min         4.216
_diffrn_source                   'sealed X-ray tube'
_diffrn_source_type              'Enhance Ultra (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    4.096
_exptl_absorpt_correction_T_max  0.768
_exptl_absorpt_correction_T_min  0.387
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.33 (release 27-03-2014 CrysAlis171 .NET)
(compiled Mar 27 2014,17:12:48)
Analytical numeric absorption correction using a multifaceted crystal
            model based on expressions derived by R.C. Clark & J.S. Reid.
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_description       plate
_exptl_crystal_F_000             1112
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.825
_refine_diff_density_min         -0.435
_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     311
_refine_ls_number_reflns         4960
_refine_ls_number_restraints     346
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0446
_refine_ls_R_factor_gt           0.0369
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0651P)²+2.0238P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0937
_refine_ls_wR_factor_ref         0.0997
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4300
_reflns_number_total             4960
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om501183p_si_001.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 4085571--4085574.cif.'
_cod_original_cell_volume        2829.73(7)
_cod_database_code               4085572
#BEGIN Tags that were not found in dictionaries:
_shelxl_version_number           2014-3
_chemical_oxdiff_formula         'C22 H44 B1 O2 P1 Si2 Sr'
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_reflns_odcompleteness_completeness 98.43
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.81
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C19) = Uanis(C20)
Uanis(C19) = Uanis(C19A)
Uanis(O2) = Uanis(O2A)
Uanis(C22) = Uanis(C22A)
Uanis(C21) = Uanis(C21A)
Uanis(C20) = Uanis(C20A)
Uanis(Si1) = Uanis(Si1A)
Uanis(C8) = Uanis(C8A)
Uanis(C10) = Uanis(C10A)
Uanis(C9) = Uanis(C9A)
3. Rigid body (RIGU) restrains
 All non-hydrogen atoms
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
4. Same fragment restrains
{O2, C19, C20, C21, C22} sigma for 1-2: 0.02, 1-3: 0.02
as
{O1, C15, C16, C17, C18}
5. Others
 Fixed Sof: Si1(0.75) H7B(0.25) C8(0.75) H8A(0.75) H8B(0.75) H8C(0.75)
 C9(0.75) H9A(0.75) H9B(0.75) H9C(0.75) C10(0.75) H10A(0.75) H10B(0.75)
 H10C(0.75) O2(0.75) C19(0.75) H19A(0.75) H19B(0.75) C20(0.75) H20A(0.75)
 H20B(0.75) C21(0.75) H21A(0.75) H21B(0.75) C22(0.75) H22A(0.75) H22B(0.75)
 C20A(0.25) H20C(0.25) H20D(0.25) H20E(0.25) C19A(0.25) H19C(0.25) H19D(0.25)
 O2A(0.25) C22A(0.25) H22C(0.25) H22D(0.25) C21A(0.25) H21C(0.25) H21D(0.25)
 H21E(0.25) Si1A(0.25) C8A(0.25) H8AA(0.25) H8AB(0.25) H8AC(0.25) C10A(0.25)
 H10D(0.25) H10E(0.25) H10F(0.25) C9A(0.25) H9AA(0.25) H9AB(0.25) H9AC(0.25)
6.a Ternary CH refined with riding coordinates:
 C7(H7A), C7(H7B)
6.b Secondary CH2 refined with riding coordinates:
 C15(H15A,H15B), C16(H16A,H16B), C17(H17A,H17B), C18(H18A,H18B), C19(H19A,
 H19B), C20(H20A,H20B), C21(H21A,H21B), C22(H22A,H22B), C19A(H19C,H19D),
 C22A(H22C,H22D)
6.c Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C6(H6)
6.d Idealised Me refined as rotating group:
 C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C),
 C13(H13A,H13B,H13C), C14(H14A,H14B,H14C), C20A(H20C,H20D,H20E), C21A(H21C,H21D,
 H21E), C8A(H8AA,H8AB,H8AC), C10A(H10D,H10E,H10F), C9A(H9AA,H9AB,H9AC)
;
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Sr1 Sr 0.55797(2) 0.41687(2) 0.57696(2) 0.02825(11) Uani 1 1 d . U . . .
P1 P 0.52160(6) 0.55704(3) 0.70756(5) 0.02584(16) Uani 1 1 d . U . . .
Si1 Si 0.7696(3) 0.49163(15) 0.8471(2) 0.0329(4) Uani 0.75 1 d . U P A 1
Si2 Si 0.27607(6) 0.47440(4) 0.64519(6) 0.03047(18) Uani 1 1 d . U . . .
C1 C 0.4724(2) 0.60913(14) 0.8027(2) 0.0277(5) Uani 1 1 d . U . . .
C2 C 0.4785(3) 0.58226(14) 0.9011(2) 0.0320(6) Uani 1 1 d . U . . .
H2 H 0.5136 0.5382 0.9223 0.038 Uiso 1 1 calc R . . . .
C3 C 0.4332(3) 0.62018(17) 0.9680(2) 0.0373(6) Uani 1 1 d . U . . .
H3 H 0.4365 0.6009 1.0330 0.045 Uiso 1 1 calc R . . . .
C4 C 0.3833(3) 0.68613(17) 0.9389(2) 0.0389(7) Uani 1 1 d . U . . .
H4 H 0.3537 0.7118 0.9841 0.047 Uiso 1 1 calc R . . . .
C5 C 0.3776(3) 0.71394(16) 0.8415(3) 0.0421(7) Uani 1 1 d . U . . .
H5 H 0.3436 0.7584 0.8211 0.051 Uiso 1 1 calc R . . . .
C6 C 0.4223(3) 0.67605(15) 0.7746(2) 0.0370(6) Uani 1 1 d . U . . .
H6 H 0.4189 0.6956 0.7098 0.044 Uiso 1 1 calc R . . . .
C7 C 0.6134(2) 0.48575(14) 0.7669(2) 0.0277(5) Uani 1 1 d . U . . .
H7A H 0.5732 0.4601 0.8091 0.033 Uiso 0.72(6) 1 calc R . . A 1
H7B H 0.5698 0.4602 0.8062 0.033 Uiso 0.25 1 calc R . P A 2
C8 C 0.8026(8) 0.5514(4) 0.9666(7) 0.068(2) Uani 0.75 1 d . U P A 1
H8A H 0.7807 0.5993 0.9438 0.102 Uiso 0.75 1 calc GR . P A 1
H8B H 0.8861 0.5495 1.0063 0.102 Uiso 0.75 1 calc GR . P A 1
H8C H 0.7578 0.5359 1.0104 0.102 Uiso 0.75 1 calc GR . P A 1
C9 C 0.8224(6) 0.4003(3) 0.9021(6) 0.0565(17) Uani 0.75 1 d . U P A 1
H9A H 0.7723 0.3827 0.9399 0.085 Uiso 0.75 1 calc GR . P A 1
H9B H 0.9031 0.4033 0.9493 0.085 Uiso 0.75 1 calc GR . P A 1
H9C H 0.8187 0.3686 0.8449 0.085 Uiso 0.75 1 calc GR . P A 1
C10 C 0.8696(5) 0.5174(3) 0.7697(5) 0.0443(11) Uani 0.75 1 d . U P A 1
H10A H 0.8673 0.4811 0.7188 0.066 Uiso 0.75 1 calc GR . P A 1
H10B H 0.9497 0.5228 0.8172 0.066 Uiso 0.75 1 calc GR . P A 1
H10C H 0.8427 0.5615 0.7337 0.066 Uiso 0.75 1 calc GR . P A 1
C11 C 0.3931(2) 0.52208(14) 0.6077(2) 0.0265(5) Uani 1 1 d . U . . .
C12 C 0.1758(3) 0.5346(2) 0.6890(3) 0.0521(9) Uani 1 1 d . U . . .
H12A H 0.2228 0.5632 0.7473 0.078 Uiso 1 1 calc GR . . . .
H12B H 0.1207 0.5065 0.7109 0.078 Uiso 1 1 calc GR . . . .
H12C H 0.1326 0.5648 0.6313 0.078 Uiso 1 1 calc GR . . . .
C13 C 0.3326(3) 0.40870(16) 0.7559(3) 0.0399(7) Uani 1 1 d . U . . .
H13A H 0.3868 0.3765 0.7400 0.060 Uiso 1 1 calc GR . . . .
H13B H 0.2669 0.3826 0.7639 0.060 Uiso 1 1 calc GR . . . .
H13C H 0.3732 0.4334 0.8206 0.060 Uiso 1 1 calc GR . . . .
C14 C 0.1754(3) 0.42307(18) 0.5289(3) 0.0447(8) Uani 1 1 d . U . . .
H14A H 0.1397 0.4550 0.4712 0.067 Uiso 1 1 calc GR . . . .
H14B H 0.1141 0.4001 0.5490 0.067 Uiso 1 1 calc GR . . . .
H14C H 0.2211 0.3879 0.5073 0.067 Uiso 1 1 calc GR . . . .
B1 B 0.5982(3) 0.62376(17) 0.6410(3) 0.0310(7) Uani 1 1 d . U . . .
O1 O 0.51288(18) 0.30166(10) 0.65299(16) 0.0364(4) Uani 1 1 d D U . . .
C15 C 0.4197(3) 0.25109(17) 0.6015(3) 0.0476(8) Uani 1 1 d D U . . .
H15A H 0.4184 0.2415 0.5299 0.057 Uiso 1 1 calc R . . . .
H15B H 0.3425 0.2693 0.5985 0.057 Uiso 1 1 calc R . . . .
C16 C 0.4490(4) 0.18563(19) 0.6669(3) 0.0618(10) Uani 1 1 d D U . . .
H16A H 0.5025 0.1552 0.6451 0.074 Uiso 1 1 calc R . . . .
H16B H 0.3776 0.1592 0.6625 0.074 Uiso 1 1 calc R . . . .
C17 C 0.5088(4) 0.21428(19) 0.7774(3) 0.0584(9) Uani 1 1 d D U . . .
H17A H 0.4506 0.2300 0.8091 0.070 Uiso 1 1 calc R . . . .
H17B H 0.5602 0.1789 0.8229 0.070 Uiso 1 1 calc R . . . .
C18 C 0.5797(3) 0.27575(17) 0.7577(2) 0.0435(7) Uani 1 1 d D U . . .
H18A H 0.5880 0.3126 0.8103 0.052 Uiso 1 1 calc R . . . .
H18B H 0.6584 0.2603 0.7605 0.052 Uiso 1 1 calc R . . . .
O2 O 0.7341(5) 0.3341(3) 0.5821(6) 0.0450(12) Uani 0.75 1 d D U P B 1
C19 C 0.8489(5) 0.3545(3) 0.5766(5) 0.0595(9) Uani 0.75 1 d D U P B 1
H19A H 0.9126 0.3425 0.6413 0.071 Uiso 0.75 1 calc R . P B 1
H19B H 0.8520 0.4049 0.5628 0.071 Uiso 0.75 1 calc R . P B 1
C20 C 0.8557(5) 0.3102(3) 0.4836(4) 0.0595(9) Uani 0.75 1 d D U P B 1
H20A H 0.8132 0.3331 0.4168 0.071 Uiso 0.75 1 calc R . P B 1
H20B H 0.9377 0.3027 0.4878 0.071 Uiso 0.75 1 calc R . P B 1
C21 C 0.7976(16) 0.2417(6) 0.4946(11) 0.059(2) Uani 0.75 1 d D U P B 1
H21A H 0.7524 0.2227 0.4257 0.071 Uiso 0.75 1 calc R . P B 1
H21B H 0.8568 0.2070 0.5321 0.071 Uiso 0.75 1 calc R . P B 1
C22 C 0.7177(6) 0.2593(4) 0.5559(7) 0.0583(17) Uani 0.75 1 d D U P B 1
H22A H 0.6355 0.2499 0.5139 0.070 Uiso 0.75 1 calc R . P B 1
H22B H 0.7380 0.2309 0.6199 0.070 Uiso 0.75 1 calc R . P B 1
C20A C 0.9604(14) 0.3562(9) 0.7229(13) 0.0595(9) Uani 0.25 1 d . U P B 2
H20C H 1.0180 0.3298 0.7021 0.089 Uiso 0.25 1 calc GR . P B 2
H20D H 0.9248 0.3258 0.7616 0.089 Uiso 0.25 1 calc GR . P B 2
H20E H 0.9989 0.3954 0.7668 0.089 Uiso 0.25 1 calc GR . P B 2
C19A C 0.8717(14) 0.3820(9) 0.6322(14) 0.0595(9) Uani 0.25 1 d . U P B 2
H19C H 0.9013 0.3784 0.5730 0.071 Uiso 0.25 1 calc R . P B 2
H19D H 0.8603 0.4321 0.6430 0.071 Uiso 0.25 1 calc R . P B 2
O2A O 0.756(2) 0.3474(12) 0.602(2) 0.0450(12) Uani 0.25 1 d . U P B 2
C22A C 0.758(2) 0.2716(14) 0.580(2) 0.0583(17) Uani 0.25 1 d . U P B 2
H22C H 0.6800 0.2524 0.5731 0.070 Uiso 0.25 1 calc R . P B 2
H22D H 0.8147 0.2493 0.6415 0.070 Uiso 0.25 1 calc R . P B 2
C21A C 0.791(5) 0.248(2) 0.475(4) 0.059(2) Uani 0.25 1 d . U P B 2
H21C H 0.7625 0.2830 0.4208 0.089 Uiso 0.25 1 calc GR . P B 2
H21D H 0.7543 0.2029 0.4497 0.089 Uiso 0.25 1 calc GR . P B 2
H21E H 0.8759 0.2434 0.4937 0.089 Uiso 0.25 1 calc GR . P B 2
Si1A Si 0.7647(10) 0.5033(6) 0.8665(8) 0.0329(4) Uani 0.25 1 d . U P A 2
C8A C 0.788(3) 0.5774(13) 0.955(3) 0.068(2) Uani 0.25 1 d . U P A 2
H8AA H 0.7451 0.6178 0.9171 0.102 Uiso 0.25 1 calc GR . P A 2
H8AB H 0.8713 0.5883 0.9821 0.102 Uiso 0.25 1 calc GR . P A 2
H8AC H 0.7597 0.5659 1.0121 0.102 Uiso 0.25 1 calc GR . P A 2
C10A C 0.8648(18) 0.5374(10) 0.8007(16) 0.0443(11) Uani 0.25 1 d . U P A 2
H10D H 0.8530 0.5117 0.7362 0.066 Uiso 0.25 1 calc GR . P A 2
H10E H 0.9457 0.5318 0.8464 0.066 Uiso 0.25 1 calc GR . P A 2
H10F H 0.8485 0.5869 0.7849 0.066 Uiso 0.25 1 calc GR . P A 2
C9A C 0.821(2) 0.4212(11) 0.937(2) 0.0565(17) Uani 0.25 1 d . U P A 2
H9AA H 0.7897 0.4157 0.9943 0.085 Uiso 0.25 1 calc GR . P A 2
H9AB H 0.9063 0.4229 0.9650 0.085 Uiso 0.25 1 calc GR . P A 2
H9AC H 0.7964 0.3817 0.8894 0.085 Uiso 0.25 1 calc GR . P A 2
H11 H 0.349(3) 0.5617(17) 0.571(2) 0.032(8) Uiso 1 1 d . . . . .
H1A H 0.667(3) 0.6514(17) 0.697(3) 0.038(8) Uiso 1 1 d . . . . .
H1B H 0.631(3) 0.5902(17) 0.585(3) 0.048(10) Uiso 1 1 d . . . . .
H1C H 0.533(3) 0.6593(18) 0.596(3) 0.041(8) Uiso 1 1 d . . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0090 0.0039 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sr Sr -0.3528 1.8200 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
_exptl_oxdiff_crystal_face_indexfrac_h
_exptl_oxdiff_crystal_face_indexfrac_k
_exptl_oxdiff_crystal_face_indexfrac_l
_exptl_oxdiff_crystal_face_x
_exptl_oxdiff_crystal_face_y
_exptl_oxdiff_crystal_face_z
0 0 1 0.1569 0.0001 0.0006 0.9990 0.0061 -0.0599 0.1060
-7 1 0 0.0893 -7.0013 0.9903 0.0048 0.3204 -0.5717 -0.7063
-7 -1 7 0.1031 -7.0006 -1.0069 6.9980 0.5088 -0.9229 0.0659
3 1 -9 0.1415 2.9995 1.0000 -8.9930 -0.2962 0.7354 -0.6730
7 -1 2 0.0765 7.0015 -0.9892 1.9930 -0.3082 0.4519 0.9184
0 -1 0 0.0225 -0.0001 -1.0006 0.0003 0.0729 0.0340 0.0150
0 1 0 0.0435 0.0001 1.0006 -0.0003 -0.0729 -0.0340 -0.0150
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
P1 Sr1 Sr1 52.543(12) 3_666 3_666
P1 Sr1 Sr1 61.988(13) . 3_666
P1 Sr1 P1 114.531(13) . 3_666
C7 Sr1 Sr1 92.65(6) . 3_666
C7 Sr1 P1 32.26(6) . .
C7 Sr1 P1 143.90(6) . 3_666
C7 Sr1 C11 122.67(8) . 3_666
C7 Sr1 C11 60.80(8) . .
C7 Sr1 B1 155.31(8) . 3_666
C11 Sr1 Sr1 49.77(5) 3_666 3_666
C11 Sr1 Sr1 50.74(5) . 3_666
C11 Sr1 P1 29.20(5) 3_666 3_666
C11 Sr1 P1 32.99(5) . .
C11 Sr1 P1 95.85(5) . 3_666
C11 Sr1 P1 103.33(5) 3_666 .
C11 Sr1 C11 100.50(6) . 3_666
C11 Sr1 B1 94.68(8) . 3_666
C11 Sr1 B1 60.99(8) 3_666 3_666
B1 Sr1 Sr1 71.42(6) 3_666 3_666
B1 Sr1 P1 125.26(7) 3_666 .
B1 Sr1 P1 32.07(6) 3_666 3_666
O1 Sr1 Sr1 148.09(5) . 3_666
O1 Sr1 P1 121.37(5) . 3_666
O1 Sr1 P1 113.20(5) . .
O1 Sr1 C7 92.93(7) . .
O1 Sr1 C11 142.92(7) . 3_666
O1 Sr1 C11 106.51(7) . .
O1 Sr1 B1 91.53(8) . 3_666
O1 Sr1 O2 75.60(17) . .
O1 Sr1 O2A 79.7(6) . .
O2 Sr1 Sr1 131.52(18) . 3_666
O2 Sr1 P1 92.10(17) . 3_666
O2 Sr1 P1 135.96(10) . .
O2 Sr1 C7 108.44(14) . .
O2 Sr1 C11 82.78(19) . 3_666
O2 Sr1 C11 168.87(12) . .
O2 Sr1 B1 96.19(14) . 3_666
O2A Sr1 Sr1 129.8(6) . 3_666
O2A Sr1 P1 127.4(4) . .
O2A Sr1 P1 96.5(6) . 3_666
O2A Sr1 C7 100.8(5) . .
O2A Sr1 C11 83.3(6) . 3_666
O2A Sr1 C11 160.4(4) . .
O2A Sr1 B1 103.9(5) . 3_666
Sr1 P1 Sr1 65.468(13) . 3_666
C1 P1 Sr1 128.06(9) . 3_666
C1 P1 Sr1 157.45(9) . .
C1 P1 B1 106.12(13) . .
C7 P1 Sr1 56.59(9) . .
C7 P1 Sr1 119.07(9) . 3_666
C7 P1 C1 112.83(13) . .
C7 P1 C11 107.93(13) . .
C7 P1 B1 112.88(14) . .
C11 P1 Sr1 62.36(8) . .
C11 P1 Sr1 53.61(8) . 3_666
C11 P1 C1 108.78(12) . .
C11 P1 B1 108.15(13) . .
B1 P1 Sr1 96.42(10) . .
B1 P1 Sr1 55.21(10) . 3_666
C7 Si1 C8 115.0(3) . .
C7 Si1 C9 108.5(3) . .
C7 Si1 C10 113.6(3) . .
C8 Si1 C9 105.3(4) . .
C10 Si1 C8 108.7(4) . .
C10 Si1 C9 105.0(3) . .
C11 Si2 C12 113.82(15) . .
C11 Si2 C13 115.24(13) . .
C11 Si2 C14 110.65(13) . .
C12 Si2 C13 104.50(16) . .
C12 Si2 C14 105.76(16) . .
C13 Si2 C14 106.11(15) . .
C2 C1 P1 122.0(2) . .
C2 C1 C6 118.0(2) . .
C6 C1 P1 120.0(2) . .
C1 C2 H2 119.5 . .
C3 C2 C1 121.0(3) . .
C3 C2 H2 119.5 . .
C2 C3 H3 119.8 . .
C4 C3 C2 120.3(3) . .
C4 C3 H3 119.8 . .
C3 C4 H4 120.3 . .
C3 C4 C5 119.3(3) . .
C5 C4 H4 120.3 . .
C4 C5 H5 119.8 . .
C6 C5 C4 120.4(3) . .
C6 C5 H5 119.8 . .
C1 C6 H6 119.5 . .
C5 C6 C1 121.0(3) . .
C5 C6 H6 119.5 . .
Sr1 C7 H7A 106.8 . .
Sr1 C7 H7B 105.0 . .
P1 C7 Sr1 91.15(11) . .
P1 C7 Si1 125.84(18) . .
P1 C7 H7A 106.8 . .
P1 C7 H7B 105.0 . .
P1 C7 Si1A 119.7(4) . .
Si1 C7 Sr1 117.63(13) . .
Si1 C7 H7A 106.8 . .
Si1A C7 Sr1 128.5(3) . .
Si1A C7 H7B 105.0 . .
Si1 C8 H8A 109.5 . .
Si1 C8 H8B 109.5 . .
Si1 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
Si1 C9 H9A 109.5 . .
Si1 C9 H9B 109.5 . .
Si1 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
Si1 C10 H10A 109.5 . .
Si1 C10 H10B 109.5 . .
Si1 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
Sr1 C11 Sr1 79.50(6) . 3_666
Sr1 C11 H11 59.6(18) 3_666 .
Sr1 C11 H11 138.3(19) . .
P1 C11 Sr1 97.19(10) . 3_666
P1 C11 Sr1 84.65(10) . .
P1 C11 Si2 120.47(15) . .
P1 C11 H11 106.8(19) . .
Si2 C11 Sr1 108.03(11) . .
Si2 C11 Sr1 141.84(13) . 3_666
Si2 C11 H11 100.3(19) . .
Si2 C12 H12A 109.5 . .
Si2 C12 H12B 109.5 . .
Si2 C12 H12C 109.5 . .
H12A C12 H12B 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
Si2 C13 H13A 109.5 . .
Si2 C13 H13B 109.5 . .
Si2 C13 H13C 109.5 . .
H13A C13 H13B 109.5 . .
H13A C13 H13C 109.5 . .
H13B C13 H13C 109.5 . .
Si2 C14 H14A 109.5 . .
Si2 C14 H14B 109.5 . .
Si2 C14 H14C 109.5 . .
H14A C14 H14B 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
Sr1 B1 H1A 155.5(17) 3_666 .
Sr1 B1 H1B 57.0(19) 3_666 .
Sr1 B1 H1C 60.0(18) 3_666 .
P1 B1 Sr1 92.72(12) . 3_666
P1 B1 H1A 111.8(17) . .
P1 B1 H1B 105.1(17) . .
P1 B1 H1C 107.8(18) . .
H1A B1 H1B 113(3) . .
H1A B1 H1C 110(3) . .
H1B B1 H1C 109(3) . .
C15 O1 Sr1 127.05(17) . .
C18 O1 Sr1 123.85(17) . .
C18 O1 C15 109.1(2) . .
O1 C15 H15A 110.6 . .
O1 C15 H15B 110.6 . .
O1 C15 C16 105.7(3) . .
H15A C15 H15B 108.7 . .
C16 C15 H15A 110.6 . .
C16 C15 H15B 110.6 . .
C15 C16 H16A 111.2 . .
C15 C16 H16B 111.2 . .
C15 C16 C17 102.9(3) . .
H16A C16 H16B 109.1 . .
C17 C16 H16A 111.2 . .
C17 C16 H16B 111.2 . .
C16 C17 H17A 111.3 . .
C16 C17 H17B 111.3 . .
H17A C17 H17B 109.2 . .
C18 C17 C16 102.3(3) . .
C18 C17 H17A 111.3 . .
C18 C17 H17B 111.3 . .
O1 C18 C17 105.6(3) . .
O1 C18 H18A 110.6 . .
O1 C18 H18B 110.6 . .
C17 C18 H18A 110.6 . .
C17 C18 H18B 110.6 . .
H18A C18 H18B 108.8 . .
C19 O2 Sr1 127.5(4) . .
C19 O2 C22 107.5(5) . .
C22 O2 Sr1 122.3(4) . .
O2 C19 H19A 111.4 . .
O2 C19 H19B 111.4 . .
O2 C19 C20 101.7(4) . .
H19A C19 H19B 109.3 . .
C20 C19 H19A 111.4 . .
C20 C19 H19B 111.4 . .
C19 C20 H20A 111.0 . .
C19 C20 H20B 111.0 . .
H20A C20 H20B 109.0 . .
C21 C20 C19 104.0(5) . .
C21 C20 H20A 111.0 . .
C21 C20 H20B 111.0 . .
C20 C21 H21A 110.7 . .
C20 C21 H21B 110.7 . .
H21A C21 H21B 108.8 . .
C22 C21 C20 105.3(7) . .
C22 C21 H21A 110.7 . .
C22 C21 H21B 110.7 . .
O2 C22 C21 106.9(6) . .
O2 C22 H22A 110.3 . .
O2 C22 H22B 110.3 . .
C21 C22 H22A 110.3 . .
C21 C22 H22B 110.3 . .
H22A C22 H22B 108.6 . .
H20C C20A H20D 109.5 . .
H20C C20A H20E 109.5 . .
H20D C20A H20E 109.5 . .
C19A C20A H20C 109.5 . .
C19A C20A H20D 109.5 . .
C19A C20A H20E 109.5 . .
C20A C19A H19C 108.0 . .
C20A C19A H19D 108.0 . .
C20A C19A O2A 117.1(18) . .
H19C C19A H19D 107.3 . .
O2A C19A H19C 108.0 . .
O2A C19A H19D 108.0 . .
C19A O2A Sr1 122.8(14) . .
C19A O2A C22A 114.6(19) . .
C22A O2A Sr1 122.5(15) . .
O2A C22A H22C 107.9 . .
O2A C22A H22D 107.9 . .
O2A C22A C21A 118(3) . .
H22C C22A H22D 107.2 . .
C21A C22A H22C 107.9 . .
C21A C22A H22D 107.9 . .
C22A C21A H21C 109.5 . .
C22A C21A H21D 109.5 . .
C22A C21A H21E 109.5 . .
H21C C21A H21D 109.5 . .
H21C C21A H21E 109.5 . .
H21D C21A H21E 109.5 . .
C8A Si1A C7 120.5(12) . .
C8A Si1A C10A 93.5(15) . .
C8A Si1A C9A 111.7(14) . .
C10A Si1A C7 110.3(9) . .
C10A Si1A C9A 111.4(12) . .
C9A Si1A C7 108.7(10) . .
Si1A C8A H8AA 109.5 . .
Si1A C8A H8AB 109.5 . .
Si1A C8A H8AC 109.5 . .
H8AA C8A H8AB 109.5 . .
H8AA C8A H8AC 109.5 . .
H8AB C8A H8AC 109.5 . .
Si1A C10A H10D 109.5 . .
Si1A C10A H10E 109.5 . .
Si1A C10A H10F 109.5 . .
H10D C10A H10E 109.5 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
Si1A C9A H9AA 109.5 . .
Si1A C9A H9AB 109.5 . .
Si1A C9A H9AC 109.5 . .
H9AA C9A H9AB 109.5 . .
H9AA C9A H9AC 109.5 . .
H9AB C9A H9AC 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Sr1 Sr1 3.7503(5) 3_666
Sr1 P1 3.2725(7) .
Sr1 P1 3.6395(7) 3_666
Sr1 C7 2.732(3) .
Sr1 C11 2.953(3) 3_666
Sr1 C11 2.912(3) .
Sr1 B1 2.992(3) 3_666
Sr1 O1 2.5282(19) .
Sr1 O2 2.595(7) .
Sr1 O2A 2.62(2) .
P1 Sr1 3.6395(7) 3_666
P1 C1 1.849(3) .
P1 C7 1.747(3) .
P1 C11 1.790(3) .
P1 B1 1.935(3) .
Si1 C7 1.816(4) .
Si1 C8 1.887(8) .
Si1 C9 1.894(7) .
Si1 C10 1.882(6) .
Si2 C11 1.860(3) .
Si2 C12 1.875(3) .
Si2 C13 1.876(3) .
Si2 C14 1.886(3) .
C1 C2 1.390(4) .
C1 C6 1.391(4) .
C2 H2 0.9300 .
C2 C3 1.387(4) .
C3 H3 0.9300 .
C3 C4 1.376(4) .
C4 H4 0.9300 .
C4 C5 1.385(4) .
C5 H5 0.9300 .
C5 C6 1.382(4) .
C6 H6 0.9300 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 Si1A 1.880(11) .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
C11 Sr1 2.953(3) 3_666
C11 H11 0.95(3) .
C12 H12A 0.9600 .
C12 H12B 0.9600 .
C12 H12C 0.9600 .
C13 H13A 0.9600 .
C13 H13B 0.9600 .
C13 H13C 0.9600 .
C14 H14A 0.9600 .
C14 H14B 0.9600 .
C14 H14C 0.9600 .
B1 Sr1 2.992(3) 3_666
B1 H1A 1.05(3) .
B1 H1B 1.15(4) .
B1 H1C 1.05(3) .
O1 C15 1.451(4) .
O1 C18 1.448(4) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 C16 1.485(5) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 C17 1.512(6) .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17 C18 1.506(5) .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
O2 C19 1.444(8) .
O2 C22 1.450(7) .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 C20 1.522(7) .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 C21 1.494(12) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 C22 1.484(13) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C20A H20C 0.9600 .
C20A H20D 0.9600 .
C20A H20E 0.9600 .
C20A C19A 1.40(2) .
C19A H19C 0.9700 .
C19A H19D 0.9700 .
C19A O2A 1.46(3) .
O2A C22A 1.46(3) .
C22A H22C 0.9700 .
C22A H22D 0.9700 .
C22A C21A 1.64(5) .
C21A H21C 0.9600 .
C21A H21D 0.9600 .
C21A H21E 0.9600 .
Si1A C8A 1.79(3) .
Si1A C10A 1.82(2) .
Si1A C9A 1.82(3) .
C8A H8AA 0.9600 .
C8A H8AB 0.9600 .
C8A H8AC 0.9600 .
C10A H10D 0.9600 .
C10A H10E 0.9600 .
C10A H10F 0.9600 .
C9A H9AA 0.9600 .
C9A H9AB 0.9600 .
C9A H9AC 0.9600 .
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_4
Sr1 P1 C1 C2 39.3(4) . .
Sr1 P1 C1 C2 160.00(19) 3_666 .
Sr1 P1 C1 C6 -16.9(3) 3_666 .
Sr1 P1 C1 C6 -137.6(2) . .
Sr1 P1 C7 Sr1 -20.65(10) 3_666 .
Sr1 P1 C7 Si1 125.9(2) . .
Sr1 P1 C7 Si1 105.27(18) 3_666 .
Sr1 P1 C7 Si1A 136.7(4) . .
Sr1 P1 C7 Si1A 116.0(4) 3_666 .
Sr1 P1 C11 Sr1 78.68(7) 3_666 .
Sr1 P1 C11 Sr1 -78.68(7) . 3_666
Sr1 P1 C11 Si2 -173.5(2) 3_666 .
Sr1 P1 C11 Si2 107.79(17) . .
Sr1 C7 Si1A C8A 153.8(15) . .
Sr1 C7 Si1A C10A 46.8(9) . .
Sr1 C7 Si1A C9A -75.6(10) . .
Sr1 O1 C15 C16 166.4(2) . .
Sr1 O1 C18 C17 169.4(2) . .
Sr1 O2 C19 C20 -124.9(5) . .
Sr1 O2 C22 C21 140.5(9) . .
Sr1 O2A C22A C21A 109(3) . .
P1 C1 C2 C3 -175.3(2) . .
P1 C1 C6 C5 175.6(2) . .
P1 C7 Si1A C8A 34.9(17) . .
P1 C7 Si1A C10A -72.0(8) . .
P1 C7 Si1A C9A 165.6(9) . .
Si1 C7 Si1A C8A 162(3) . .
Si1 C7 Si1A C10A 55(2) . .
Si1 C7 Si1A C9A -67(2) . .
C1 P1 C7 Sr1 157.33(9) . .
C1 P1 C7 Si1 -76.7(2) . .
C1 P1 C7 Si1A -66.0(4) . .
C1 P1 C11 Sr1 123.94(11) . 3_666
C1 P1 C11 Sr1 -157.38(10) . .
C1 P1 C11 Si2 -49.59(19) . .
C1 C2 C3 C4 -1.4(5) . .
C2 C1 C6 C5 -1.4(4) . .
C2 C3 C4 C5 0.7(5) . .
C3 C4 C5 C6 -0.4(5) . .
C4 C5 C6 C1 0.8(5) . .
C6 C1 C2 C3 1.7(4) . .
C7 P1 C1 C2 -17.8(3) . .
C7 P1 C1 C6 165.3(2) . .
C7 P1 C11 Sr1 -113.32(11) . 3_666
C7 P1 C11 Sr1 -34.64(12) . .
C7 P1 C11 Si2 73.15(18) . .
C8 Si1 C7 Sr1 171.2(3) . .
C8 Si1 C7 P1 57.2(4) . .
C8 Si1 C7 Si1A -1(2) . .
C9 Si1 C7 Sr1 -71.2(3) . .
C9 Si1 C7 P1 174.8(3) . .
C9 Si1 C7 Si1A 116(3) . .
C10 Si1 C7 Sr1 45.1(3) . .
C10 Si1 C7 P1 -68.8(3) . .
C10 Si1 C7 Si1A -128(3) . .
C11 P1 C1 C2 102.0(2) . .
C11 P1 C1 C6 -75.0(3) . .
C11 P1 C7 Sr1 37.10(12) . .
C11 P1 C7 Si1 163.03(18) . .
C11 P1 C7 Si1A 173.8(4) . .
C12 Si2 C11 Sr1 170.83(14) . .
C12 Si2 C11 Sr1 -93.2(2) . 3_666
C12 Si2 C11 P1 76.4(2) . .
C13 Si2 C11 Sr1 146.09(19) . 3_666
C13 Si2 C11 Sr1 50.12(16) . .
C13 Si2 C11 P1 -44.3(2) . .
C14 Si2 C11 Sr1 25.7(3) . 3_666
C14 Si2 C11 Sr1 -70.24(16) . .
C14 Si2 C11 P1 -164.70(17) . .
B1 P1 C1 C2 -141.9(2) . .
B1 P1 C1 C6 41.2(3) . .
B1 P1 C7 Sr1 -82.36(13) . .
B1 P1 C7 Si1 43.6(2) . .
B1 P1 C7 Si1A 54.3(4) . .
B1 P1 C11 Sr1 9.10(14) . 3_666
B1 P1 C11 Sr1 87.78(12) . .
B1 P1 C11 Si2 -164.43(16) . .
O1 C15 C16 C17 31.8(4) . .
C15 O1 C18 C17 -11.1(3) . .
C15 C16 C17 C18 -37.8(4) . .
C16 C17 C18 O1 30.2(4) . .
C18 O1 C15 C16 -13.2(4) . .
O2 C19 C20 C21 -36.9(9) . .
C19 O2 C22 C21 -22.0(11) . .
C19 C20 C21 C22 24.1(12) . .
C20 C21 C22 O2 -2.3(13) . .
C22 O2 C19 C20 36.4(7) . .
C20A C19A O2A Sr1 124.5(17) . .
C20A C19A O2A C22A -59(3) . .
C19A O2A C22A C21A -67(4) . .
