# Supplementary Material (ESI) for Chemical Communications
# This journal is (c) The Royal Society of Chemistry 2008

data_global
_journal_name_full               Chem.Commun.

_journal_coden_Cambridge         0182

_publ_contact_author_name        'Karin Ruhlandt-Senge'
_publ_contact_author_email       KRUHLAND@SYR.EDU

_publ_section_title              
;

;
loop_
_publ_author_name
'Karin Ruhlandt-Senge'
'Philip C. Andrews'
'Glen B. Deacon'
'Craig M. Forsyth'
;
M.M.Gillett-Kunnath
;
'Jonathan G. MacLellan'

data_sad1
_database_code_depnum_ccdc_archive 'CCDC 655775'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C36 H64 Ba N2 O3 Si2'
_chemical_formula_weight         766.41
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'
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'
Ba Ba -0.3244 2.2819 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -y+1/2, z-1/2'
_cell_length_a                   17.1615(10)
_cell_length_b                   12.2957(7)
_cell_length_c                   38.200(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.7920(10)
_cell_angle_gamma                90.00
_cell_volume                     8059.8(8)
_cell_formula_units_Z            8
_cell_measurement_temperature    104(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?
_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.263
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3216
_exptl_absorpt_coefficient_mu    1.078
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.6724
_exptl_absorpt_correction_T_max  0.8999
_exptl_absorpt_process_details   ?
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      104(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            41841
_diffrn_reflns_av_R_equivalents  0.0307
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_l_min       -49
_diffrn_reflns_limit_l_max       50
_diffrn_reflns_theta_min         2.04
_diffrn_reflns_theta_max         28.31
_reflns_number_total             9999
_reflns_number_gt                9058
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and Rfactors
based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0322P)^2^+10.7486P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9999
_refine_ls_number_parameters     409
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0368
_refine_ls_R_factor_gt           0.0318
_refine_ls_wR_factor_ref         0.0737
_refine_ls_wR_factor_gt          0.0716
_refine_ls_goodness_of_fit_ref   1.125
_refine_ls_restrained_S_all      1.125
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
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
Ba1 Ba 0.226413(7) 0.619641(9) 0.124719(3) 0.01645(4) Uani 1 1 d . . .
N1 N 0.22532(11) 0.81991(14) 0.14949(5) 0.0217(4) Uani 1 1 d . . .
N2 N 0.32017(10) 0.55566(14) 0.07699(5) 0.0191(3) Uani 1 1 d . . .
Si1 Si 0.23903(4) 0.93567(5) 0.127272(16) 0.02378(13) Uani 1 1 d . . .
Si2 Si 0.40802(3) 0.59697(5) 0.062852(16) 0.02009(12) Uani 1 1 d . . .
O1 O 0.08420(10) 0.60667(13) 0.09069(4) 0.0283(4) Uani 1 1 d . . .
O2 O 0.14054(10) 0.45962(13) 0.15777(4) 0.0288(4) Uani 1 1 d . . .
O3 O 0.32668(10) 0.54913(14) 0.17699(4) 0.0293(4) Uani 1 1 d . . .
C1 C 0.20732(13) 0.80099(16) 0.18424(6) 0.0210(4) Uani 1 1 d . . .
C2 C 0.12978(13) 0.77542(18) 0.19387(6) 0.0243(5) Uani 1 1 d . . .
C3 C 0.11340(14) 0.74173(19) 0.22797(6) 0.0284(5) Uani 1 1 d . . .
H3 H 0.0611 0.7245 0.2336 0.034 Uiso 1 1 calc R . .
C4 C 0.17039(15) 0.73249(19) 0.25379(6) 0.0292(5) Uani 1 1 d . . .
C5 C 0.24567(15) 0.76203(18) 0.24484(6) 0.0273(5) Uani 1 1 d . . .
H5 H 0.2855 0.7591 0.2623 0.033 Uiso 1 1 calc R . .
C6 C 0.26515(13) 0.79571(18) 0.21132(6) 0.0239(4) Uani 1 1 d . . .
C7 C 0.06484(14) 0.7834(2) 0.16716(7) 0.0315(5) Uani 1 1 d . . .
H7A H 0.0148 0.7722 0.1786 0.047 Uiso 1 1 calc R . .
H7B H 0.0719 0.7276 0.1492 0.047 Uiso 1 1 calc R . .
H7C H 0.0656 0.8555 0.1563 0.047 Uiso 1 1 calc R . .
C8 C 0.15245(18) 0.6903(2) 0.28996(7) 0.0421(7) Uani 1 1 d . . .
H8A H 0.1530 0.7509 0.3066 0.063 Uiso 1 1 calc R . .
H8B H 0.1919 0.6366 0.2970 0.063 Uiso 1 1 calc R . .
H8C H 0.1009 0.6560 0.2897 0.063 Uiso 1 1 calc R . .
C9 C 0.34813(14) 0.8242(2) 0.20324(7) 0.0317(5) Uani 1 1 d . . .
H9A H 0.3543 0.9034 0.2033 0.047 Uiso 1 1 calc R . .
H9B H 0.3614 0.7954 0.1802 0.047 Uiso 1 1 calc R . .
H9C H 0.3829 0.7923 0.2210 0.047 Uiso 1 1 calc R . .
C10 C 0.22209(17) 0.9045(2) 0.07976(7) 0.0377(6) Uani 1 1 d . . .
H10A H 0.2558 0.8441 0.0728 0.057 Uiso 1 1 calc R . .
H10B H 0.2342 0.9689 0.0657 0.057 Uiso 1 1 calc R . .
H10C H 0.1674 0.8842 0.0759 0.057 Uiso 1 1 calc R . .
C11 C 0.17159(17) 1.0474(2) 0.14112(8) 0.0397(6) Uani 1 1 d . . .
H11A H 0.1182 1.0298 0.1336 0.060 Uiso 1 1 calc R . .
H11B H 0.1876 1.1160 0.1303 0.060 Uiso 1 1 calc R . .
H11C H 0.1737 1.0547 0.1667 0.060 Uiso 1 1 calc R . .
C12 C 0.33984(15) 0.9965(2) 0.12957(7) 0.0345(6) Uani 1 1 d . . .
H12A H 0.3497 1.0253 0.1531 0.052 Uiso 1 1 calc R . .
H12B H 0.3437 1.0555 0.1124 0.052 Uiso 1 1 calc R . .
H12C H 0.3784 0.9403 0.1243 0.052 Uiso 1 1 calc R . .
C13 C 0.27798(12) 0.46825(17) 0.06302(5) 0.0185(4) Uani 1 1 d . . .
C14 C 0.22520(12) 0.48135(18) 0.03430(6) 0.0225(4) Uani 1 1 d . . .
C15 C 0.18312(13) 0.39261(19) 0.02145(6) 0.0267(5) Uani 1 1 d . . .
H15 H 0.1490 0.4032 0.0020 0.032 Uiso 1 1 calc R . .
C16 C 0.18905(13) 0.28942(19) 0.03596(6) 0.0257(5) Uani 1 1 d . . .
C17 C 0.23836(13) 0.27721(18) 0.06480(6) 0.0247(5) Uani 1 1 d . . .
H17 H 0.2426 0.2077 0.0755 0.030 Uiso 1 1 calc R . .
C18 C 0.28189(13) 0.36297(17) 0.07862(6) 0.0222(4) Uani 1 1 d . . .
C19 C 0.21355(14) 0.59098(19) 0.01750(6) 0.0284(5) Uani 1 1 d . . .
H19A H 0.2563 0.6054 0.0014 0.043 Uiso 1 1 calc R . .
H19B H 0.2129 0.6473 0.0357 0.043 Uiso 1 1 calc R . .
H19C H 0.1639 0.5917 0.0045 0.043 Uiso 1 1 calc R . .
C20 C 0.14351(15) 0.1945(2) 0.02101(7) 0.0353(6) Uani 1 1 d . . .
H20A H 0.0876 0.2072 0.0241 0.053 Uiso 1 1 calc R . .
H20B H 0.1589 0.1276 0.0332 0.053 Uiso 1 1 calc R . .
H20C H 0.1545 0.1872 -0.0040 0.053 Uiso 1 1 calc R . .
C21 C 0.33379(14) 0.34339(18) 0.11028(6) 0.0255(5) Uani 1 1 d . . .
H21A H 0.3279 0.2680 0.1181 0.038 Uiso 1 1 calc R . .
H21B H 0.3189 0.3929 0.1291 0.038 Uiso 1 1 calc R . .
H21C H 0.3882 0.3565 0.1041 0.038 Uiso 1 1 calc R . .
C22 C 0.43778(18) 0.7181(2) 0.08924(8) 0.0443(7) Uani 1 1 d . . .
H22A H 0.4029 0.7791 0.0838 0.067 Uiso 1 1 calc R . .
H22B H 0.4914 0.7382 0.0836 0.067 Uiso 1 1 calc R . .
H22C H 0.4346 0.7007 0.1142 0.067 Uiso 1 1 calc R . .
C23 C 0.41114(17) 0.6371(3) 0.01565(7) 0.0489(8) Uani 1 1 d . . .
H23A H 0.3915 0.5771 0.0011 0.073 Uiso 1 1 calc R . .
H23B H 0.4650 0.6535 0.0093 0.073 Uiso 1 1 calc R . .
H23C H 0.3786 0.7016 0.0118 0.073 Uiso 1 1 calc R . .
C24 C 0.48664(15) 0.4924(2) 0.06800(9) 0.0417(7) Uani 1 1 d . . .
H24A H 0.4931 0.4737 0.0928 0.063 Uiso 1 1 calc R . .
H24B H 0.5357 0.5216 0.0592 0.063 Uiso 1 1 calc R . .
H24C H 0.4723 0.4270 0.0547 0.063 Uiso 1 1 calc R . .
C25 C 0.0424(2) 0.6929(3) 0.07297(9) 0.0550(9) Uani 1 1 d . . .
H25A H 0.0771 0.7309 0.0565 0.066 Uiso 1 1 calc R . .
H25B H 0.0232 0.7465 0.0902 0.066 Uiso 1 1 calc R . .
C26 C -0.02344(19) 0.6434(3) 0.05386(10) 0.0544(9) Uani 1 1 d . . .
H26A H -0.0292 0.6758 0.0302 0.065 Uiso 1 1 calc R . .
H26B H -0.0726 0.6543 0.0667 0.065 Uiso 1 1 calc R . .
C27 C -0.00412(17) 0.5234(3) 0.05129(7) 0.0428(7) Uani 1 1 d . . .
H27A H -0.0519 0.4784 0.0521 0.051 Uiso 1 1 calc R . .
H27B H 0.0239 0.5071 0.0294 0.051 Uiso 1 1 calc R . .
C28 C 0.04736(14) 0.5037(2) 0.08313(6) 0.0294(5) Uani 1 1 d . . .
H28A H 0.0159 0.4794 0.1032 0.035 Uiso 1 1 calc R . .
H28B H 0.0869 0.4474 0.0781 0.035 Uiso 1 1 calc R . .
C29 C 0.14365(15) 0.34248(19) 0.15477(7) 0.0304(5) Uani 1 1 d . . .
H29A H 0.1935 0.3143 0.1644 0.037 Uiso 1 1 calc R . .
H29B H 0.1386 0.3199 0.1300 0.037 Uiso 1 1 calc R . .
C30 C 0.07581(17) 0.3005(2) 0.17567(9) 0.0440(7) Uani 1 1 d . . .
H30A H 0.0893 0.2316 0.1877 0.053 Uiso 1 1 calc R . .
H30B H 0.0294 0.2885 0.1605 0.053 Uiso 1 1 calc R . .
C31 C 0.06178(18) 0.3913(2) 0.20184(8) 0.0448(7) Uani 1 1 d . . .
H31A H 0.0073 0.3909 0.2100 0.054 Uiso 1 1 calc R . .
H31B H 0.0976 0.3855 0.2223 0.054 Uiso 1 1 calc R . .
C32 C 0.07830(17) 0.4895(2) 0.18087(8) 0.0416(7) Uani 1 1 d . . .
H32A H 0.0315 0.5118 0.1673 0.050 Uiso 1 1 calc R . .
H32B H 0.0945 0.5504 0.1963 0.050 Uiso 1 1 calc R . .
C33 C 0.29882(15) 0.5112(2) 0.21027(6) 0.0300(5) Uani 1 1 d . . .
H33A H 0.2806 0.4350 0.2084 0.036 Uiso 1 1 calc R . .
H33B H 0.2552 0.5571 0.2184 0.036 Uiso 1 1 calc R . .
C34 C 0.36762(16) 0.5195(2) 0.23524(6) 0.0344(6) Uani 1 1 d . . .
H34A H 0.3639 0.4659 0.2545 0.041 Uiso 1 1 calc R . .
H34B H 0.3724 0.5935 0.2453 0.041 Uiso 1 1 calc R . .
C35 C 0.43490(18) 0.4937(3) 0.21122(7) 0.0505(8) Uani 1 1 d . . .
H35A H 0.4838 0.5276 0.2199 0.061 Uiso 1 1 calc R . .
H35B H 0.4428 0.4142 0.2093 0.061 Uiso 1 1 calc R . .
C36 C 0.41025(15) 0.5414(2) 0.17680(7) 0.0364(6) Uani 1 1 d . . .
H36A H 0.4337 0.6143 0.1738 0.044 Uiso 1 1 calc R . .
H36B H 0.4273 0.4941 0.1573 0.044 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
Ba1 0.01811(6) 0.01557(6) 0.01571(6) -0.00123(4) 0.00160(4) -0.00011(4)
N1 0.0276(9) 0.0162(8) 0.0215(9) -0.0026(7) 0.0039(7) 0.0005(7)
N2 0.0211(9) 0.0182(8) 0.0180(8) -0.0018(7) 0.0041(7) -0.0018(7)
Si1 0.0332(3) 0.0172(3) 0.0212(3) -0.0012(2) 0.0066(2) 0.0007(2)
Si2 0.0210(3) 0.0191(3) 0.0203(3) -0.0001(2) 0.0025(2) -0.0017(2)
O1 0.0267(8) 0.0278(8) 0.0302(9) -0.0023(7) -0.0091(7) 0.0030(6)
O2 0.0344(9) 0.0207(8) 0.0317(9) 0.0008(7) 0.0109(7) -0.0037(7)
O3 0.0331(9) 0.0351(9) 0.0195(8) 0.0018(7) -0.0031(7) 0.0046(7)
C1 0.0276(11) 0.0157(9) 0.0198(10) -0.0034(8) 0.0040(8) 0.0004(8)
C2 0.0274(11) 0.0223(10) 0.0234(11) -0.0048(8) 0.0039(9) 0.0026(9)
C3 0.0300(12) 0.0265(11) 0.0290(12) -0.0037(9) 0.0103(10) -0.0025(9)
C4 0.0439(14) 0.0241(11) 0.0197(11) -0.0019(9) 0.0081(10) -0.0003(10)
C5 0.0371(13) 0.0235(11) 0.0211(11) -0.0026(9) -0.0010(9) 0.0015(9)
C6 0.0289(11) 0.0204(10) 0.0226(11) -0.0035(8) 0.0028(9) 0.0003(8)
C7 0.0238(11) 0.0379(13) 0.0328(13) -0.0031(10) 0.0046(10) 0.0030(10)
C8 0.0568(18) 0.0443(16) 0.0256(13) 0.0060(11) 0.0112(12) 0.0003(13)
C9 0.0293(12) 0.0345(13) 0.0311(13) 0.0003(10) -0.0023(10) -0.0032(10)
C10 0.0509(17) 0.0367(14) 0.0255(13) 0.0039(10) 0.0020(11) -0.0016(12)
C11 0.0510(16) 0.0217(12) 0.0470(16) 0.0030(11) 0.0166(13) 0.0064(11)
C12 0.0435(15) 0.0264(12) 0.0338(13) -0.0040(10) 0.0122(11) -0.0088(10)
C13 0.0194(10) 0.0201(10) 0.0163(9) -0.0027(8) 0.0071(8) 0.0006(8)
C14 0.0205(10) 0.0240(10) 0.0230(11) -0.0013(8) 0.0037(8) 0.0017(8)
C15 0.0207(10) 0.0326(12) 0.0269(12) -0.0042(9) -0.0008(9) -0.0012(9)
C16 0.0217(11) 0.0272(11) 0.0283(12) -0.0065(9) 0.0059(9) -0.0056(9)
C17 0.0280(11) 0.0205(10) 0.0257(11) 0.0002(8) 0.0074(9) -0.0033(9)
C18 0.0238(10) 0.0223(10) 0.0205(10) -0.0007(8) 0.0051(8) -0.0005(8)
C19 0.0299(12) 0.0289(12) 0.0262(12) 0.0036(9) -0.0051(9) 0.0032(9)
C20 0.0301(13) 0.0339(13) 0.0419(15) -0.0082(11) 0.0015(11) -0.0102(10)
C21 0.0343(12) 0.0225(10) 0.0195(10) 0.0047(8) -0.0008(9) -0.0018(9)
C22 0.0451(16) 0.0356(14) 0.0525(18) -0.0153(13) 0.0063(13) -0.0151(12)
C23 0.0323(14) 0.083(2) 0.0312(14) 0.0170(15) 0.0042(11) -0.0143(14)
C24 0.0268(13) 0.0339(14) 0.065(2) 0.0084(13) 0.0120(13) 0.0050(10)
C25 0.062(2) 0.0436(17) 0.059(2) -0.0069(15) -0.0342(17) 0.0179(15)
C26 0.0445(17) 0.0549(19) 0.063(2) 0.0237(16) -0.0239(15) -0.0090(15)
C27 0.0424(15) 0.0535(17) 0.0322(14) -0.0007(13) -0.0130(12) -0.0100(13)
C28 0.0294(12) 0.0321(13) 0.0265(12) -0.0020(10) 0.0001(9) -0.0049(10)
C29 0.0384(13) 0.0205(11) 0.0325(13) -0.0011(9) 0.0061(10) 0.0001(10)
C30 0.0433(16) 0.0302(13) 0.0587(19) 0.0005(13) 0.0094(14) -0.0112(12)
C31 0.0421(16) 0.0472(17) 0.0454(17) 0.0068(13) 0.0179(13) -0.0016(13)
C32 0.0474(16) 0.0353(14) 0.0426(16) -0.0081(12) 0.0152(13) -0.0005(12)
C33 0.0398(14) 0.0265(11) 0.0235(12) 0.0022(9) -0.0022(10) -0.0013(10)
C34 0.0488(15) 0.0324(13) 0.0218(12) 0.0006(10) -0.0061(11) 0.0062(11)
C35 0.0456(17) 0.074(2) 0.0317(15) 0.0015(14) -0.0079(13) 0.0226(16)
C36 0.0319(13) 0.0503(16) 0.0270(13) 0.0003(11) -0.0046(10) -0.0023(11)
_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
Ba1 N2 2.5716(17) . ?
Ba1 N1 2.6381(17) . ?
Ba1 O1 2.7539(16) . ?
Ba1 O3 2.7575(16) . ?
Ba1 O2 2.7728(15) . ?
Ba1 C13 3.140(2) . ?
Ba1 C1 3.205(2) . ?
N1 C1 1.387(3) . ?
N1 Si1 1.6754(19) . ?
N2 C13 1.398(3) . ?
N2 Si2 1.6868(18) . ?
Si1 C10 1.874(3) . ?
Si1 C11 1.877(3) . ?
Si1 C12 1.886(3) . ?
Si2 C22 1.866(3) . ?
Si2 C23 1.871(3) . ?
Si2 C24 1.873(3) . ?
O1 C28 1.443(3) . ?
O1 C25 1.444(3) . ?
O2 C32 1.443(3) . ?
O2 C29 1.446(3) . ?
O3 C36 1.438(3) . ?
O3 C33 1.442(3) . ?
C1 C2 1.421(3) . ?
C1 C6 1.425(3) . ?
C2 C3 1.399(3) . ?
C2 C7 1.504(3) . ?
C3 C4 1.384(4) . ?
C3 H3 0.9500 . ?
C4 C5 1.389(4) . ?
C4 C8 1.512(3) . ?
C5 C6 1.391(3) . ?
C5 H5 0.9500 . ?
C6 C9 1.503(3) . ?
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 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.422(3) . ?
C13 C18 1.426(3) . ?
C14 C15 1.394(3) . ?
C14 C19 1.505(3) . ?
C15 C16 1.388(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.388(3) . ?
C16 C20 1.512(3) . ?
C17 C18 1.392(3) . ?
C17 H17 0.9500 . ?
C18 C21 1.511(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.469(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.516(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.513(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.512(4) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.520(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.479(4) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 C34 1.511(3) . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
C34 C35 1.518(4) . ?
C34 H34A 0.9900 . ?
C34 H34B 0.9900 . ?
C35 C36 1.495(4) . ?
C35 H35A 0.9900 . ?
C35 H35B 0.9900 . ?
C36 H36A 0.9900 . ?
C36 H36B 0.9900 . ?
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
N2 Ba1 N1 123.19(6) . . ?
N2 Ba1 O1 101.93(5) . . ?
N1 Ba1 O1 102.28(5) . . ?
N2 Ba1 O3 91.54(5) . . ?
N1 Ba1 O3 92.36(5) . . ?
O1 Ba1 O3 149.73(5) . . ?
N2 Ba1 O2 116.58(5) . . ?
N1 Ba1 O2 119.51(5) . . ?
O1 Ba1 O2 72.59(5) . . ?
O3 Ba1 O2 77.14(5) . . ?
N2 Ba1 C13 25.96(5) . . ?
N1 Ba1 C13 145.69(5) . . ?
O1 Ba1 C13 82.44(5) . . ?
O3 Ba1 C13 100.23(5) . . ?
O2 Ba1 C13 94.48(5) . . ?
N2 Ba1 C1 141.91(5) . . ?
N1 Ba1 C1 25.14(5) . . ?
O1 Ba1 C1 106.06(5) . . ?
O3 Ba1 C1 76.94(5) . . ?
O2 Ba1 C1 96.34(5) . . ?
C13 Ba1 C1 167.86(5) . . ?
C1 N1 Si1 131.46(15) . . ?
C1 N1 Ba1 100.93(12) . . ?
Si1 N1 Ba1 127.56(9) . . ?
C13 N2 Si2 124.74(14) . . ?
C13 N2 Ba1 100.38(12) . . ?
Si2 N2 Ba1 134.88(9) . . ?
N1 Si1 C10 107.20(11) . . ?
N1 Si1 C11 112.79(11) . . ?
C10 Si1 C11 109.56(13) . . ?
N1 Si1 C12 116.65(11) . . ?
C10 Si1 C12 104.85(12) . . ?
C11 Si1 C12 105.40(12) . . ?
N2 Si2 C22 107.85(11) . . ?
N2 Si2 C23 115.19(11) . . ?
C22 Si2 C23 107.40(15) . . ?
N2 Si2 C24 113.92(11) . . ?
C22 Si2 C24 107.47(14) . . ?
C23 Si2 C24 104.61(15) . . ?
C28 O1 C25 109.70(19) . . ?
C28 O1 Ba1 121.90(13) . . ?
C25 O1 Ba1 127.62(16) . . ?
C32 O2 C29 109.29(18) . . ?
C32 O2 Ba1 120.05(14) . . ?
C29 O2 Ba1 130.57(13) . . ?
C36 O3 C33 109.02(18) . . ?
C36 O3 Ba1 129.04(14) . . ?
C33 O3 Ba1 121.93(14) . . ?
N1 C1 C2 120.5(2) . . ?
N1 C1 C6 122.7(2) . . ?
C2 C1 C6 116.6(2) . . ?
N1 C1 Ba1 53.93(10) . . ?
C2 C1 Ba1 97.77(13) . . ?
C6 C1 Ba1 113.97(14) . . ?
C3 C2 C1 120.5(2) . . ?
C3 C2 C7 119.6(2) . . ?
C1 C2 C7 119.8(2) . . ?
C4 C3 C2 122.6(2) . . ?
C4 C3 H3 118.7 . . ?
C2 C3 H3 118.7 . . ?
C3 C4 C5 117.0(2) . . ?
C3 C4 C8 121.9(2) . . ?
C5 C4 C8 121.1(2) . . ?
C4 C5 C6 122.7(2) . . ?
C4 C5 H5 118.6 . . ?
C6 C5 H5 118.6 . . ?
C5 C6 C1 120.5(2) . . ?
C5 C6 C9 119.9(2) . . ?
C1 C6 C9 119.5(2) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 C14 121.91(19) . . ?
N2 C13 C18 121.14(19) . . ?
C14 C13 C18 116.80(19) . . ?
N2 C13 Ba1 53.66(10) . . ?
C14 C13 Ba1 109.20(13) . . ?
C18 C13 Ba1 103.68(13) . . ?
C15 C14 C13 120.3(2) . . ?
C15 C14 C19 119.1(2) . . ?
C13 C14 C19 120.6(2) . . ?
C16 C15 C14 122.7(2) . . ?
C16 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C15 C16 C17 117.2(2) . . ?
C15 C16 C20 121.3(2) . . ?
C17 C16 C20 121.5(2) . . ?
C16 C17 C18 122.5(2) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 H17 118.8 . . ?
C17 C18 C13 120.5(2) . . ?
C17 C18 C21 119.3(2) . . ?
C13 C18 C21 120.19(19) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C25 C26 107.6(3) . . ?
O1 C25 H25A 110.2 . . ?
C26 C25 H25A 110.2 . . ?
O1 C25 H25B 110.2 . . ?
C26 C25 H25B 110.2 . . ?
H25A C25 H25B 108.5 . . ?
C25 C26 C27 105.6(2) . . ?
C25 C26 H26A 110.6 . . ?
C27 C26 H26A 110.6 . . ?
C25 C26 H26B 110.6 . . ?
C27 C26 H26B 110.6 . . ?
H26A C26 H26B 108.8 . . ?
C28 C27 C26 103.3(2) . . ?
C28 C27 H27A 111.1 . . ?
C26 C27 H27A 111.1 . . ?
C28 C27 H27B 111.1 . . ?
C26 C27 H27B 111.1 . . ?
H27A C27 H27B 109.1 . . ?
O1 C28 C27 105.7(2) . . ?
O1 C28 H28A 110.6 . . ?
C27 C28 H28A 110.6 . . ?
O1 C28 H28B 110.6 . . ?
C27 C28 H28B 110.6 . . ?
H28A C28 H28B 108.7 . . ?
O2 C29 C30 105.6(2) . . ?
O2 C29 H29A 110.6 . . ?
C30 C29 H29A 110.6 . . ?
O2 C29 H29B 110.6 . . ?
C30 C29 H29B 110.6 . . ?
H29A C29 H29B 108.7 . . ?
C29 C30 C31 103.1(2) . . ?
C29 C30 H30A 111.1 . . ?
C31 C30 H30A 111.1 . . ?
C29 C30 H30B 111.1 . . ?
C31 C30 H30B 111.1 . . ?
H30A C30 H30B 109.1 . . ?
C32 C31 C30 102.1(2) . . ?
C32 C31 H31A 111.3 . . ?
C30 C31 H31A 111.3 . . ?
C32 C31 H31B 111.3 . . ?
C30 C31 H31B 111.3 . . ?
H31A C31 H31B 109.2 . . ?
O2 C32 C31 105.8(2) . . ?
O2 C32 H32A 110.6 . . ?
C31 C32 H32A 110.6 . . ?
O2 C32 H32B 110.6 . . ?
C31 C32 H32B 110.6 . . ?
H32A C32 H32B 108.7 . . ?
O3 C33 C34 105.6(2) . . ?
O3 C33 H33A 110.6 . . ?
C34 C33 H33A 110.6 . . ?
O3 C33 H33B 110.6 . . ?
C34 C33 H33B 110.6 . . ?
H33A C33 H33B 108.7 . . ?
C33 C34 C35 101.5(2) . . ?
C33 C34 H34A 111.5 . . ?
C35 C34 H34A 111.5 . . ?
C33 C34 H34B 111.5 . . ?
C35 C34 H34B 111.5 . . ?
H34A C34 H34B 109.3 . . ?
C36 C35 C34 104.0(2) . . ?
C36 C35 H35A 111.0 . . ?
C34 C35 H35A 111.0 . . ?
C36 C35 H35B 111.0 . . ?
C34 C35 H35B 111.0 . . ?
H35A C35 H35B 109.0 . . ?
O3 C36 C35 107.0(2) . . ?
O3 C36 H36A 110.3 . . ?
C35 C36 H36A 110.3 . . ?
O3 C36 H36B 110.3 . . ?
C35 C36 H36B 110.3 . . ?
H36A C36 H36B 108.6 . . ?
_diffrn_measured_fraction_theta_max 0.999
_diffrn_reflns_theta_full        28.31
_diffrn_measured_fraction_theta_full 0.999
_refine_diff_density_max         0.868
_refine_diff_density_min         -0.859
_refine_diff_density_rms         0.090

data_sad
_database_code_depnum_ccdc_archive 'CCDC 655776'
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H56 N2 O2 Si2 Sr'
_chemical_formula_weight         644.59
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'
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'
_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/n
loop_
_symmetry_equiv_pos_as_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'
_cell_length_a                   12.1914(15)
_cell_length_b                   15.3503(19)
_cell_length_c                   19.413(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.321(3)
_cell_angle_gamma                90.00
_cell_volume                     3632.1(8)
_cell_formula_units_Z            4
_cell_measurement_temperature    95(2)
_cell_measurement_reflns_used    7732
_cell_measurement_theta_min      2.36
_cell_measurement_theta_max      26.07
_exptl_crystal_description       plate
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1376
_exptl_absorpt_coefficient_mu    1.578
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.7432
_exptl_absorpt_correction_T_max  0.8842
_exptl_absorpt_process_details   'R. Blessing, Acta Cryst. (1995) A51 33-38.'
_exptl_special_details           
;
?
;
_diffrn_ambient_temperature      95(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        none
_diffrn_reflns_number            38062
_diffrn_reflns_av_R_equivalents  0.0439
_diffrn_reflns_av_sigmaI/netI    0.0396
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_theta_min         1.69
_diffrn_reflns_theta_max         28.37
_reflns_number_total             9062
_reflns_number_gt                7320
_reflns_threshold_expression     >2sigma(I)
_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ are statistically about twice as large as those based on F, and Rfactors
based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[\s^2^(Fo^2^)+(0.0461P)^2^+0.8488P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9062
_refine_ls_number_parameters     364
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0525
_refine_ls_R_factor_gt           0.0367
_refine_ls_wR_factor_ref         0.0888
_refine_ls_wR_factor_gt          0.0827
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_restrained_S_all      1.026
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
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
C8 C 0.46252(18) 0.77002(17) 0.40851(11) 0.0374(5) Uani 1 1 d . . .
H8A H 0.4714 0.7066 0.4108 0.056 Uiso 1 1 calc R . .
H8B H 0.4279 0.7907 0.4505 0.056 Uiso 1 1 calc R . .
H8C H 0.5346 0.7975 0.4043 0.056 Uiso 1 1 calc R . .
Sr1 Sr 0.028696(14) 0.798194(11) 0.231501(9) 0.02048(6) Uani 1 1 d . . .
N1 N 0.18686(13) 0.85878(10) 0.17397(8) 0.0217(3) Uani 1 1 d . . .
N2 N -0.15227(13) 0.86399(11) 0.22419(8) 0.0221(3) Uani 1 1 d . . .
Si1 Si 0.21563(5) 0.91006(4) 0.09983(3) 0.02370(12) Uani 1 1 d . . .
Si2 Si -0.23435(5) 0.86295(4) 0.15346(3) 0.02534(12) Uani 1 1 d . . .
O1 O 0.05554(12) 0.75720(9) 0.35551(7) 0.0303(3) Uani 1 1 d . . .
O2 O 0.00840(13) 0.64408(10) 0.19022(9) 0.0372(4) Uani 1 1 d . . .
C1 C 0.25926(15) 0.83977(12) 0.22862(10) 0.0203(4) Uani 1 1 d . . .
C2 C 0.25619(15) 0.88852(13) 0.29058(10) 0.0228(4) Uani 1 1 d . . .
C3 C 0.32111(16) 0.86470(14) 0.34750(10) 0.0257(4) Uani 1 1 d . . .
H3 H 0.3173 0.8984 0.3884 0.031 Uiso 1 1 calc R . .
C4 C 0.39105(16) 0.79352(13) 0.34660(10) 0.0265(4) Uani 1 1 d . . .
C5 C 0.39468(16) 0.74591(13) 0.28596(10) 0.0253(4) Uani 1 1 d . . .
H5 H 0.4422 0.6970 0.2841 0.030 Uiso 1 1 calc R . .
C6 C 0.33142(15) 0.76706(12) 0.22773(10) 0.0208(4) Uani 1 1 d . . .
C7 C 0.18487(18) 0.96861(14) 0.29425(11) 0.0319(5) Uani 1 1 d . . .
H7A H 0.1075 0.9514 0.2918 0.048 Uiso 1 1 calc R . .
H7B H 0.2008 1.0073 0.2556 0.048 Uiso 1 1 calc R . .
H7C H 0.2000 0.9992 0.3378 0.048 Uiso 1 1 calc R . .
C9 C 0.33991(17) 0.71311(13) 0.16344(11) 0.0276(4) Uani 1 1 d . . .
H9A H 0.3792 0.7461 0.1285 0.041 Uiso 1 1 calc R . .
H9B H 0.2661 0.6988 0.1458 0.041 Uiso 1 1 calc R . .
H9C H 0.3799 0.6592 0.1741 0.041 Uiso 1 1 calc R . .
C10 C 0.36351(19) 0.94193(16) 0.09618(13) 0.0410(6) Uani 1 1 d . . .
H10A H 0.3839 0.9755 0.1374 0.061 Uiso 1 1 calc R . .
H10B H 0.3751 0.9776 0.0551 0.061 Uiso 1 1 calc R . .
H10C H 0.4090 0.8894 0.0941 0.061 Uiso 1 1 calc R . .
C11 C 0.1838(2) 0.84026(16) 0.02280(11) 0.0434(6) Uani 1 1 d . . .
H11A H 0.2275 0.7867 0.0256 0.065 Uiso 1 1 calc R . .
H11B H 0.2017 0.8721 -0.0192 0.065 Uiso 1 1 calc R . .
H11C H 0.1056 0.8254 0.0217 0.065 Uiso 1 1 calc R . .
C12 C 0.1311(2) 1.01113(16) 0.08802(13) 0.0429(6) Uani 1 1 d . . .
H12A H 0.0531 0.9959 0.0882 0.064 Uiso 1 1 calc R . .
H12B H 0.1483 1.0385 0.0440 0.064 Uiso 1 1 calc R . .
H12C H 0.1478 1.0519 0.1257 0.064 Uiso 1 1 calc R . .
C13 C -0.17199(14) 0.89543(12) 0.29023(9) 0.0192(4) Uani 1 1 d . . .
C14 C -0.21365(15) 0.84054(12) 0.34215(10) 0.0214(4) Uani 1 1 d . . .
C15 C -0.22498(17) 0.87194(13) 0.40917(10) 0.0263(4) Uani 1 1 d . . .
H15 H -0.2551 0.8346 0.4429 0.032 Uiso 1 1 calc R . .
C16 C -0.19394(18) 0.95540(14) 0.42838(11) 0.0308(5) Uani 1 1 d . . .
C17 C -0.15259(17) 1.00883(13) 0.37757(11) 0.0290(4) Uani 1 1 d . . .
H17 H -0.1307 1.0664 0.3896 0.035 Uiso 1 1 calc R . .
C18 C -0.14177(15) 0.98174(12) 0.30974(10) 0.0227(4) Uani 1 1 d . . .
C19 C -0.24621(18) 0.74810(13) 0.32630(11) 0.0301(5) Uani 1 1 d . . .
H19A H -0.2589 0.7168 0.3694 0.045 Uiso 1 1 calc R . .
H19B H -0.1874 0.7194 0.3013 0.045 Uiso 1 1 calc R . .
H19C H -0.3136 0.7478 0.2978 0.045 Uiso 1 1 calc R . .
C20 C -0.2031(2) 0.98568(18) 0.50202(13) 0.0506(7) Uani 1 1 d . . .
H20A H -0.2561 0.9491 0.5258 0.076 Uiso 1 1 calc R . .
H20B H -0.2278 1.0464 0.5026 0.076 Uiso 1 1 calc R . .
H20C H -0.1313 0.9812 0.5255 0.076 Uiso 1 1 calc R . .
C21 C -0.10025(18) 1.04407(13) 0.25669(12) 0.0301(5) Uani 1 1 d . . .
H21A H -0.1623 1.0671 0.2293 0.045 Uiso 1 1 calc R . .
H21B H -0.0499 1.0135 0.2263 0.045 Uiso 1 1 calc R . .
H21C H -0.0615 1.0922 0.2798 0.045 Uiso 1 1 calc R . .
C22 C -0.3678(2) 0.80452(17) 0.16283(12) 0.0423(6) Uani 1 1 d . . .
H22A H -0.3539 0.7425 0.1710 0.063 Uiso 1 1 calc R . .
H22B H -0.4125 0.8115 0.1206 0.063 Uiso 1 1 calc R . .
H22C H -0.4071 0.8290 0.2018 0.063 Uiso 1 1 calc R . .
C23 C -0.2715(2) 0.97297(16) 0.11717(13) 0.0462(6) Uani 1 1 d . . .
H23A H -0.3160 1.0047 0.1503 0.069 Uiso 1 1 calc R . .
H23B H -0.3136 0.9656 0.0739 0.069 Uiso 1 1 calc R . .
H23C H -0.2044 1.0059 0.1084 0.069 Uiso 1 1 calc R . .
C24 C -0.1554(2) 0.80437(18) 0.08569(13) 0.0482(6) Uani 1 1 d . . .
H24A H -0.0855 0.8343 0.0788 0.072 Uiso 1 1 calc R . .
H24B H -0.1982 0.8039 0.0423 0.072 Uiso 1 1 calc R . .
H24C H -0.1413 0.7443 0.1006 0.072 Uiso 1 1 calc R . .
C25 C 0.1050(3) 0.67913(17) 0.38282(14) 0.0521(7) Uani 1 1 d . . .
H25A H 0.1859 0.6846 0.3849 0.063 Uiso 1 1 calc R . .
H25B H 0.0850 0.6282 0.3539 0.063 Uiso 1 1 calc R . .
C26 C 0.0605(3) 0.6695(2) 0.45358(15) 0.0663(9) Uani 1 1 d . . .
H26A H 0.1179 0.6475 0.4861 0.080 Uiso 1 1 calc R . .
H26B H -0.0023 0.6286 0.4532 0.080 Uiso 1 1 calc R . .
C27 C 0.0240(3) 0.76065(19) 0.47413(13) 0.0547(7) Uani 1 1 d . . .
H27A H -0.0557 0.7621 0.4826 0.066 Uiso 1 1 calc R . .
H27B H 0.0641 0.7805 0.5162 0.066 Uiso 1 1 calc R . .
C28 C 0.05197(19) 0.81667(15) 0.41297(11) 0.0334(5) Uani 1 1 d . . .
H28A H -0.0048 0.8619 0.4049 0.040 Uiso 1 1 calc R . .
H28B H 0.1239 0.8455 0.4205 0.040 Uiso 1 1 calc R . .
C29 C -0.0713(2) 0.58304(16) 0.21800(15) 0.0476(7) Uani 1 1 d . . .
H29A H -0.1469 0.6056 0.2114 0.057 Uiso 1 1 calc R . .
H29B H -0.0570 0.5734 0.2678 0.057 Uiso 1 1 calc R . .
C30 C -0.05675(19) 0.49985(15) 0.17841(14) 0.0409(6) Uani 1 1 d . . .
H30A H -0.1258 0.4660 0.1754 0.049 Uiso 1 1 calc R . .
H30B H 0.0019 0.4632 0.1994 0.049 Uiso 1 1 calc R . .
C31 C -0.0245(2) 0.53409(16) 0.10825(14) 0.0421(6) Uani 1 1 d . . .
H31A H 0.0137 0.4889 0.0815 0.051 Uiso 1 1 calc R . .
H31B H -0.0894 0.5548 0.0814 0.051 Uiso 1 1 calc R . .
C32 C 0.05117(19) 0.60818(15) 0.12709(13) 0.0391(5) Uani 1 1 d . . .
H32A H 0.1272 0.5869 0.1346 0.047 Uiso 1 1 calc R . .
H32B H 0.0509 0.6527 0.0902 0.047 Uiso 1 1 calc R . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C8 0.0291(11) 0.0533(14) 0.0297(11) 0.0102(10) -0.0015(9) 0.0012(10)
Sr1 0.01952(9) 0.02018(9) 0.02179(9) 0.00044(7) 0.00175(6) -0.00096(7)
N1 0.0208(8) 0.0238(8) 0.0206(8) 0.0005(6) 0.0007(6) 0.0003(6)
N2 0.0219(8) 0.0240(8) 0.0205(8) -0.0003(6) 0.0049(6) 0.0023(6)
Si1 0.0285(3) 0.0223(3) 0.0204(3) 0.0004(2) 0.0029(2) -0.0007(2)
Si2 0.0286(3) 0.0292(3) 0.0183(3) -0.0008(2) 0.0041(2) 0.0032(2)
O1 0.0349(8) 0.0289(8) 0.0272(7) 0.0040(6) 0.0010(6) 0.0051(6)
O2 0.0349(8) 0.0261(8) 0.0513(10) -0.0126(7) 0.0139(7) -0.0080(6)
C1 0.0173(9) 0.0212(9) 0.0226(9) 0.0008(7) 0.0023(7) -0.0030(7)
C2 0.0194(9) 0.0240(9) 0.0250(10) -0.0018(8) 0.0025(7) -0.0006(8)
C3 0.0224(10) 0.0327(11) 0.0220(10) -0.0040(8) 0.0020(8) -0.0026(8)
C4 0.0196(9) 0.0347(11) 0.0252(10) 0.0068(9) 0.0009(8) -0.0038(8)
C5 0.0195(9) 0.0241(10) 0.0325(11) 0.0056(8) 0.0039(8) 0.0016(8)
C6 0.0187(9) 0.0192(9) 0.0248(9) 0.0006(7) 0.0051(7) -0.0019(7)
C7 0.0344(12) 0.0293(11) 0.0317(11) -0.0101(9) -0.0031(9) 0.0069(9)
C9 0.0291(11) 0.0225(10) 0.0312(11) -0.0042(8) 0.0026(8) 0.0020(8)
C10 0.0362(13) 0.0352(13) 0.0518(15) 0.0134(11) 0.0083(11) -0.0078(10)
C11 0.0648(17) 0.0435(14) 0.0218(11) -0.0047(10) 0.0012(11) -0.0090(12)
C12 0.0541(16) 0.0400(13) 0.0346(13) 0.0106(10) 0.0043(11) 0.0157(12)
C13 0.0162(8) 0.0187(9) 0.0227(9) 0.0006(7) 0.0015(7) 0.0028(7)
C14 0.0193(9) 0.0206(9) 0.0244(9) 0.0010(8) 0.0018(7) 0.0008(7)
C15 0.0280(10) 0.0276(10) 0.0234(10) 0.0033(8) 0.0047(8) 0.0002(8)
C16 0.0330(11) 0.0341(11) 0.0255(10) -0.0077(9) 0.0026(9) 0.0020(9)
C17 0.0303(11) 0.0206(10) 0.0362(12) -0.0076(8) 0.0012(9) 0.0001(8)
C18 0.0197(9) 0.0192(9) 0.0293(10) 0.0020(8) 0.0017(8) 0.0004(7)
C19 0.0391(12) 0.0221(10) 0.0292(11) 0.0021(8) 0.0072(9) -0.0040(9)
C20 0.0654(18) 0.0535(16) 0.0331(13) -0.0169(12) 0.0096(12) -0.0046(14)
C21 0.0299(11) 0.0213(10) 0.0393(12) 0.0052(9) 0.0024(9) -0.0031(8)
C22 0.0357(13) 0.0595(16) 0.0312(12) 0.0023(11) -0.0052(10) -0.0087(12)
C23 0.0651(17) 0.0403(14) 0.0328(12) 0.0037(11) -0.0099(12) 0.0110(12)
C24 0.0573(17) 0.0579(17) 0.0298(12) -0.0061(12) 0.0113(11) 0.0104(13)
C25 0.076(2) 0.0346(13) 0.0455(15) 0.0069(11) -0.0049(14) 0.0176(13)
C26 0.105(3) 0.0526(17) 0.0412(16) 0.0152(14) -0.0003(17) 0.0112(18)
C27 0.074(2) 0.0581(17) 0.0327(13) 0.0122(13) 0.0085(13) 0.0160(15)
C28 0.0325(12) 0.0372(12) 0.0304(11) -0.0027(9) -0.0006(9) 0.0027(9)
C29 0.0433(14) 0.0352(13) 0.0652(17) -0.0136(12) 0.0242(13) -0.0124(11)
C30 0.0299(12) 0.0282(11) 0.0650(17) -0.0110(11) 0.0128(11) -0.0060(9)
C31 0.0359(13) 0.0371(13) 0.0536(15) -0.0180(11) 0.0056(11) -0.0030(10)
C32 0.0315(12) 0.0358(12) 0.0505(14) -0.0082(11) 0.0143(11) -0.0026(10)
_geom_special_details            
;
All esds (except the esd in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell esds are taken
into account individually in the estimation of esds in distances, angles
and torsion angles; correlations between esds in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell esds is used for estimating esds involving l.s. planes.
;
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
C8 C4 1.512(3) . ?
C8 H8A 0.9800 . ?
C8 H8B 0.9800 . ?
C8 H8C 0.9800 . ?
Sr1 N2 2.4276(16) . ?
Sr1 N1 2.4350(16) . ?
Sr1 O1 2.5025(14) . ?
Sr1 O2 2.5082(15) . ?
Sr1 C1 2.8842(18) . ?
Sr1 C13 3.1053(18) . ?
Sr1 C2 3.2838(19) . ?
Sr1 Si2 3.6530(7) . ?
N1 C1 1.395(2) . ?
N1 Si1 1.6846(16) . ?
N2 C13 1.396(2) . ?
N2 Si2 1.6805(17) . ?
Si1 C10 1.871(2) . ?
Si1 C11 1.873(2) . ?
Si1 C12 1.874(2) . ?
Si2 C22 1.871(2) . ?
Si2 C24 1.878(2) . ?
Si2 C23 1.881(2) . ?
O1 C25 1.437(3) . ?
O1 C28 1.443(3) . ?
O2 C32 1.451(3) . ?
O2 C29 1.462(3) . ?
C1 C2 1.418(3) . ?
C1 C6 1.422(3) . ?
C2 C3 1.393(3) . ?
C2 C7 1.508(3) . ?
C3 C4 1.386(3) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(3) . ?
C5 C6 1.392(3) . ?
C5 H5 0.9500 . ?
C6 C9 1.503(3) . ?
C7 H7A 0.9800 . ?
C7 H7B 0.9800 . ?
C7 H7C 0.9800 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 C14 1.417(3) . ?
C13 C18 1.424(3) . ?
C14 C15 1.397(3) . ?
C14 C19 1.503(3) . ?
C15 C16 1.385(3) . ?
C15 H15 0.9500 . ?
C16 C17 1.386(3) . ?
C16 C20 1.510(3) . ?
C17 C18 1.390(3) . ?
C17 H17 0.9500 . ?
C18 C21 1.502(3) . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.496(4) . ?
C25 H25A 0.9900 . ?
C25 H25B 0.9900 . ?
C26 C27 1.524(4) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
C27 C28 1.511(3) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?
C28 H28A 0.9900 . ?
C28 H28B 0.9900 . ?
C29 C30 1.503(3) . ?
C29 H29A 0.9900 . ?
C29 H29B 0.9900 . ?
C30 C31 1.520(4) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.504(3) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
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
C4 C8 H8A 109.5 . . ?
C4 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C4 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
N2 Sr1 N1 122.85(5) . . ?
N2 Sr1 O1 105.03(5) . . ?
N1 Sr1 O1 116.73(5) . . ?
N2 Sr1 O2 106.91(5) . . ?
N1 Sr1 O2 106.68(5) . . ?
O1 Sr1 O2 94.59(5) . . ?
N2 Sr1 C1 142.34(5) . . ?
N1 Sr1 C1 28.86(5) . . ?
O1 Sr1 C1 88.19(5) . . ?
O2 Sr1 C1 106.95(5) . . ?
N2 Sr1 C13 25.68(5) . . ?
N1 Sr1 C13 128.59(5) . . ?
O1 Sr1 C13 81.62(5) . . ?
O2 Sr1 C13 119.86(5) . . ?
C1 Sr1 C13 132.63(5) . . ?
N2 Sr1 C2 127.15(5) . . ?
N1 Sr1 C2 47.75(5) . . ?
O1 Sr1 C2 71.30(5) . . ?
O2 Sr1 C2 125.89(5) . . ?
C1 Sr1 C2 25.54(5) . . ?
C13 Sr1 C2 109.58(5) . . ?
N2 Sr1 Si2 22.27(4) . . ?
N1 Sr1 Si2 113.75(4) . . ?
O1 Sr1 Si2 124.16(3) . . ?
O2 Sr1 Si2 92.58(4) . . ?
C1 Sr1 Si2 141.11(4) . . ?
C13 Sr1 Si2 47.92(4) . . ?
C2 Sr1 Si2 139.14(4) . . ?
C1 N1 Si1 127.36(13) . . ?
C1 N1 Sr1 93.74(11) . . ?
Si1 N1 Sr1 138.86(9) . . ?
C13 N2 Si2 129.93(13) . . ?
C13 N2 Sr1 105.41(11) . . ?
Si2 N2 Sr1 124.55(8) . . ?
N1 Si1 C10 111.99(10) . . ?
N1 Si1 C11 111.80(10) . . ?
C10 Si1 C11 107.54(12) . . ?
N1 Si1 C12 111.51(10) . . ?
C10 Si1 C12 107.85(12) . . ?
C11 Si1 C12 105.83(12) . . ?
N2 Si2 C22 115.34(10) . . ?
N2 Si2 C24 105.77(11) . . ?
C22 Si2 C24 107.44(13) . . ?
N2 Si2 C23 115.55(10) . . ?
C22 Si2 C23 105.31(12) . . ?
C24 Si2 C23 106.90(12) . . ?
N2 Si2 Sr1 33.19(5) . . ?
C22 Si2 Sr1 125.91(8) . . ?
C24 Si2 Sr1 72.59(9) . . ?
C23 Si2 Sr1 126.96(9) . . ?
C25 O1 C28 105.21(17) . . ?
C25 O1 Sr1 127.51(14) . . ?
C28 O1 Sr1 125.38(12) . . ?
C32 O2 C29 108.85(16) . . ?
C32 O2 Sr1 126.38(13) . . ?
C29 O2 Sr1 123.23(12) . . ?
N1 C1 C2 120.40(17) . . ?
N1 C1 C6 122.41(16) . . ?
C2 C1 C6 116.94(17) . . ?
N1 C1 Sr1 57.40(9) . . ?
C2 C1 Sr1 93.18(11) . . ?
C6 C1 Sr1 115.48(12) . . ?
C3 C2 C1 120.58(18) . . ?
C3 C2 C7 119.60(17) . . ?
C1 C2 C7 119.78(17) . . ?
C3 C2 Sr1 128.76(13) . . ?
C1 C2 Sr1 61.28(10) . . ?
C7 C2 Sr1 82.96(11) . . ?
C4 C3 C2 122.35(18) . . ?
C4 C3 H3 118.8 . . ?
C2 C3 H3 118.8 . . ?
C3 C4 C5 117.23(18) . . ?
C3 C4 C8 121.43(19) . . ?
C5 C4 C8 121.33(19) . . ?
C4 C5 C6 122.57(18) . . ?
C4 C5 H5 118.7 . . ?
C6 C5 H5 118.7 . . ?
C5 C6 C1 120.31(17) . . ?
C5 C6 C9 119.89(17) . . ?
C1 C6 C9 119.80(17) . . ?
C2 C7 H7A 109.5 . . ?
C2 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C2 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C9 H9A 109.5 . . ?
C6 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C6 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
Si1 C10 H10A 109.5 . . ?
Si1 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
Si1 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Si1 C11 H11A 109.5 . . ?
Si1 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
Si1 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
Si1 C12 H12A 109.5 . . ?
Si1 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
Si1 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
N2 C13 C14 121.32(16) . . ?
N2 C13 C18 121.13(17) . . ?
C14 C13 C18 117.32(17) . . ?
N2 C13 Sr1 48.91(9) . . ?
C14 C13 Sr1 105.89(11) . . ?
C18 C13 Sr1 110.09(12) . . ?
C15 C14 C13 120.13(17) . . ?
C15 C14 C19 119.00(17) . . ?
C13 C14 C19 120.86(17) . . ?
C16 C15 C14 122.52(19) . . ?
C16 C15 H15 118.7 . . ?
C14 C15 H15 118.7 . . ?
C15 C16 C17 117.22(19) . . ?
C15 C16 C20 120.9(2) . . ?
C17 C16 C20 121.8(2) . . ?
C16 C17 C18 122.75(19) . . ?
C16 C17 H17 118.6 . . ?
C18 C17 H17 118.6 . . ?
C17 C18 C13 120.04(18) . . ?
C17 C18 C21 119.99(18) . . ?
C13 C18 C21 119.96(18) . . ?
C14 C19 H19A 109.5 . . ?
C14 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C14 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C16 C20 H20A 109.5 . . ?
C16 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C16 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C18 C21 H21A 109.5 . . ?
C18 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C18 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si2 C22 H22A 109.5 . . ?
Si2 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
Si2 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Si2 C23 H23A 109.5 . . ?
Si2 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si2 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
Si2 C24 H24A 109.5 . . ?
Si2 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si2 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O1 C25 C26 105.3(2) . . ?
O1 C25 H25A 110.7 . . ?
C26 C25 H25A 110.7 . . ?
O1 C25 H25B 110.7 . . ?
C26 C25 H25B 110.7 . . ?
H25A C25 H25B 108.8 . . ?
C25 C26 C27 105.3(2) . . ?
C25 C26 H26A 110.7 . . ?
C27 C26 H26A 110.7 . . ?
C25 C26 H26B 110.7 . . ?
C27 C26 H26B 110.7 . . ?
H26A C26 H26B 108.8 . . ?
C28 C27 C26 104.1(2) . . ?
C28 C27 H27A 110.9 . . ?
C26 C27 H27A 110.9 . . ?
C28 C27 H27B 110.9 . . ?
C26 C27 H27B 110.9 . . ?
H27A C27 H27B 108.9 . . ?
O1 C28 C27 105.00(19) . . ?
O1 C28 H28A 110.7 . . ?
C27 C28 H28A 110.7 . . ?
O1 C28 H28B 110.7 . . ?
C27 C28 H28B 110.7 . . ?
H28A C28 H28B 108.8 . . ?
O2 C29 C30 105.56(18) . . ?
O2 C29 H29A 110.6 . . ?
C30 C29 H29A 110.6 . . ?
O2 C29 H29B 110.6 . . ?
C30 C29 H29B 110.6 . . ?
H29A C29 H29B 108.8 . . ?
C29 C30 C31 101.57(19) . . ?
C29 C30 H30A 111.5 . . ?
C31 C30 H30A 111.5 . . ?
C29 C30 H30B 111.5 . . ?
C31 C30 H30B 111.5 . . ?
H30A C30 H30B 109.3 . . ?
C32 C31 C30 102.3(2) . . ?
C32 C31 H31A 111.3 . . ?
C30 C31 H31A 111.3 . . ?
C32 C31 H31B 111.3 . . ?
C30 C31 H31B 111.3 . . ?
H31A C31 H31B 109.2 . . ?
O2 C32 C31 105.18(18) . . ?
O2 C32 H32A 110.7 . . ?
C31 C32 H32A 110.7 . . ?
O2 C32 H32B 110.7 . . ?
C31 C32 H32B 110.7 . . ?
H32A C32 H32B 108.8 . . ?
_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        28.37
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.565
_refine_diff_density_min         -0.281
_refine_diff_density_rms         0.067