#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:32:06 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179900 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/96/7019674.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_7019674
loop_
_publ_author_name
'Zhang, Chun-Hua'
'Chen, Ya-Guang'
'Tang, Qun'
'Liu, Shu-Xia'
_publ_section_title
;
 Polynuclear complexes of main group and transition metals with
 polyaminopolycarboxylate and polyoxometalate.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9971
_journal_page_last               9978
_journal_paper_doi               10.1039/c2dt12508k
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C28 H66 N8 O72 Si Sr3 W12'
_chemical_formula_weight         4163.92
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                99.882(5)
_cell_angle_beta                 96.920(5)
_cell_angle_gamma                101.044(5)
_cell_formula_units_Z            1
_cell_length_a                   10.863(5)
_cell_length_b                   12.385(5)
_cell_length_c                   15.883(5)
_cell_measurement_reflns_used    2540
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      4
_cell_volume                     2040.0(14)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  CCD
_diffrn_measurement_method       '/w scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_sigmaI/netI    0.1452
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            13927
_diffrn_reflns_theta_full        25.75
_diffrn_reflns_theta_max         25.75
_diffrn_reflns_theta_min         3.40
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.920
_exptl_absorpt_correction_T_max  0.192
_exptl_absorpt_correction_T_min  0.184
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.389
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1882.0
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.359
_refine_diff_density_min         -2.249
_refine_diff_density_rms         0.366
_refine_ls_extinction_coef       0.00009(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     576
_refine_ls_number_reflns         7725
_refine_ls_number_restraints     85
_refine_ls_restrained_S_all      0.993
_refine_ls_R_factor_all          0.1284
_refine_ls_R_factor_gt           0.0707
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0360P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1202
_refine_ls_wR_factor_ref         0.1407
_reflns_number_gt                4879
_reflns_number_total             7807
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt12508k.txt
_cod_data_source_block           Sr
_cod_database_code               7019674
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
W1 W 0.73978(8) -0.05019(7) 0.14756(6) 0.0257(2) Uani 1 1 d .
W2 W 0.50119(9) -0.25399(7) -0.14019(6) 0.0288(3) Uani 1 1 d .
W3 W 0.78598(7) 0.20443(7) 0.07258(6) 0.0229(2) Uani 1 1 d .
W4 W 0.78597(8) -0.05005(7) -0.06804(6) 0.0287(3) Uani 1 1 d .
W5 W 0.54555(9) -0.00048(7) -0.21634(6) 0.0315(3) Uani 1 1 d .
W6 W 0.45484(9) -0.25354(7) 0.07566(6) 0.0311(3) Uani 1 1 d .
O1W O -0.4163(18) -1.416(2) -0.408(2) 0.137(12) Uani 1 1 d .
H20A H -0.4285 -1.4824 -0.3838 0.205 Uiso 1 1 d R
H20B H -0.4537 -1.3610 -0.3764 0.205 Uiso 1 1 d R
O1 O 0.3829(15) -1.3656(14) -0.7056(12) 0.055(5) Uani 1 1 d U
H1A H 0.4347 -1.3445 -0.6609 0.083 Uiso 1 1 calc R
O2W O -0.2901(19) -1.1683(17) -0.4056(18) 0.107(9) Uani 1 1 d .
H21A H -0.3713 -1.1851 -0.3870 0.160 Uiso 1 1 d R
H21B H -0.3019 -1.1598 -0.4648 0.160 Uiso 1 1 d R
O2 O 0.2799(15) -1.2455(14) -0.6344(12) 0.057(5) Uani 1 1 d .
O3 O 0.0224(13) -1.4191(12) -0.6343(12) 0.045(5) Uani 1 1 d .
O3W O -0.203(2) -1.3720(17) -0.2417(12) 0.091(8) Uani 1 1 d .
H22A H -0.2405 -1.4502 -0.2468 0.136 Uiso 1 1 d R
H22B H -0.2596 -1.3276 -0.2188 0.136 Uiso 1 1 d R
O4 O -0.0174(16) -1.1860(13) -0.6350(11) 0.048(5) Uani 1 1 d .
O5 O 0.0962(16) -1.0209(14) -0.6417(13) 0.060(5) Uani 1 1 d .
O5W O -0.2123(17) -1.5385(13) -0.4718(12) 0.063(5) Uani 1 1 d .
H24B H -0.1341 -1.5572 -0.4851 0.095 Uiso 1 1 d R
H24C H -0.2715 -1.5510 -0.5243 0.095 Uiso 1 1 d R
O6 O -0.4297(16) -1.324(2) -0.5871(11) 0.083(8) Uani 1 1 d .
O6W O -0.0170(15) -0.7934(13) -0.5400(10) 0.050(5) Uani 1 1 d .
H26A H -0.0205 -0.7825 -0.5986 0.060 Uiso 1 1 d R
H26B H -0.0271 -0.7335 -0.4961 0.060 Uiso 1 1 d R
O7 O -0.2270(14) -1.3401(13) -0.5577(9) 0.038(4) Uani 1 1 d .
O8 O 0.0376(14) -1.3983(13) -0.3446(12) 0.050(5) Uani 1 1 d .
O9 O 0.571(2) -0.058(2) -0.0768(16) 0.018(6) Uani 0.50 1 d PU
O10 O 0.534(2) -0.058(2) 0.0820(17) 0.024(6) Uani 0.50 1 d PU
O11 O 0.568(2) 0.133(2) 0.0291(19) 0.030(8) Uani 0.50 1 d P
O12 O 0.6303(15) -0.1912(14) 0.1227(13) 0.063(5) Uani 1 1 d U
O13 O 0.7150(16) 0.2631(16) -0.0156(12) 0.062(5) Uani 1 1 d U
O14 O 0.650(2) 0.0200(18) 0.0300(15) 0.011(5) Uani 0.50 1 d PU
O15 O 0.6307(15) 0.0023(13) 0.2231(15) 0.076(8) Uani 1 1 d .
O16 O 0.8039(19) 0.1034(11) 0.1501(9) 0.055(6) Uani 1 1 d .
O17 O 0.5839(15) 0.1536(13) -0.1715(15) 0.082(9) Uani 1 1 d .
O18 O 0.6792(15) 0.2639(16) 0.1444(11) 0.057(6) Uani 1 1 d .
O19 O 0.5013(16) -0.1575(16) -0.2185(14) 0.079(7) Uani 1 1 d .
O20 O 0.6790(17) -0.1952(14) -0.1101(13) 0.068(5) Uani 1 1 d U
O21 O 0.7128(17) -0.0051(15) -0.1640(14) 0.081(7) Uani 1 1 d .
O22 O 0.8351(17) 0.1020(12) -0.0116(10) 0.048(5) Uani 1 1 d .
O23 O 0.8048(16) -0.0869(12) 0.0447(11) 0.049(4) Uani 1 1 d U
O24 O 0.5006(17) -0.2965(18) -0.0335(10) 0.075(7) Uani 1 1 d .
O25 O 0.4356(13) -0.3712(12) 0.1130(11) 0.043(4) Uani 1 1 d .
O26 O 0.9242(15) -0.0752(13) -0.0980(11) 0.050(5) Uani 1 1 d .
O27 O 0.9212(15) 0.3019(13) 0.1096(10) 0.049(5) Uani 1 1 d .
O28 O 0.8512(17) -0.0739(13) 0.2190(9) 0.052(5) Uani 1 1 d .
O29 O 0.5650(14) 0.0024(12) -0.3195(10) 0.045(5) Uani 1 1 d .
O30 O 0.4999(14) -0.3737(12) -0.2083(10) 0.043(4) Uani 1 1 d .
C14 C 0.193(2) -1.3480(19) -0.7743(15) 0.036(6) Uani 1 1 d D
H14A H 0.1702 -1.4293 -0.7897 0.043 Uiso 1 1 calc R
H14B H 0.2281 -1.3203 -0.8217 0.043 Uiso 1 1 calc R
C13 C -0.2669(19) -1.4344(17) -0.8819(13) 0.027(5) Uani 1 1 d .
H13A H -0.3510 -1.4285 -0.8699 0.033 Uiso 1 1 calc R
H13B H -0.2599 -1.5118 -0.8845 0.033 Uiso 1 1 calc R
C12 C -0.250(2) -1.4023(19) -0.9691(16) 0.046(7) Uani 1 1 d .
H12A H -0.3160 -1.4499 -1.0139 0.055 Uiso 1 1 calc R
H12B H -0.2570 -1.3251 -0.9668 0.055 Uiso 1 1 calc R
C11 C -0.325(2) -1.341(2) -0.6070(17) 0.041(6) Uani 1 1 d .
C10 C 0.095(2) -1.1780(17) -0.7499(15) 0.035(6) Uani 1 1 d U
H10A H 0.0470 -1.1604 -0.7995 0.043 Uiso 1 1 calc R
H10B H 0.1840 -1.1475 -0.7497 0.043 Uiso 1 1 calc R
C9 C -0.317(2) -1.3607(19) -0.7049(14) 0.035(6) Uani 1 1 d .
H9A H -0.3856 -1.4222 -0.7356 0.042 Uiso 1 1 calc R
H9B H -0.3269 -1.2939 -0.7268 0.042 Uiso 1 1 calc R
C8 C -0.019(2) -1.3430(19) -0.9204(14) 0.037(6) Uani 1 1 d U
H8A H -0.0226 -1.2649 -0.9182 0.045 Uiso 1 1 calc R
H8B H 0.0640 -1.3521 -0.9330 0.045 Uiso 1 1 calc R
C7 C -0.120(2) -1.416(2) -0.9913(16) 0.053(7) Uani 1 1 d .
H7A H -0.1133 -1.4937 -0.9966 0.064 Uiso 1 1 calc R
H7B H -0.1084 -1.3936 -1.0460 0.064 Uiso 1 1 calc R
C6 C -0.186(2) -1.5033(18) -0.7076(16) 0.037(6) Uani 1 1 d U
H6A H -0.2022 -1.5544 -0.7633 0.045 Uiso 1 1 calc R
H6B H -0.2518 -1.5285 -0.6748 0.045 Uiso 1 1 calc R
C5 C -0.0369(19) -1.374(2) -0.8287(16) 0.041(7) Uani 1 1 d .
H5A H -0.0340 -1.4531 -0.8325 0.050 Uiso 1 1 calc R
C4 C -0.1692(17) -1.3599(17) -0.8105(13) 0.024(5) Uani 1 1 d U
H4A H -0.1749 -1.2818 -0.8098 0.029 Uiso 1 1 calc R
C3 C 0.285(2) -1.314(2) -0.6985(16) 0.038(6) Uani 1 1 d D
C2 C -0.059(2) -1.5065(19) -0.6599(15) 0.034(6) Uani 1 1 d U
C1 C 0.057(2) -1.1203(19) -0.6698(15) 0.032(5) Uani 1 1 d U
N1 N -0.1913(14) -1.3879(13) -0.7213(10) 0.019(4) Uani 1 1 d .
N2 N 0.0744(14) -1.3038(14) -0.7614(10) 0.024(4) Uani 1 1 d .
N3 N 0.389(4) -1.068(4) -0.495(3) 0.061(13) Uiso 0.50 1 d P
N3' N 0.511(6) -1.101(5) -0.530(4) 0.11(2) Uiso 0.50 1 d P
N4 N 0.4086(17) -1.2824(18) -0.4293(16) 0.059(7) Uani 1 1 d .
O8W O -0.2247(14) -0.7841(14) -0.6610(12) 0.056(5) Uani 1 1 d .
O4W O -0.0503(17) -1.1618(15) -0.2829(11) 0.069(6) Uani 1 1 d .
H30A H -0.0207 -1.1282 -0.2229 0.104 Uiso 1 1 d R
H30B H -0.1412 -1.1854 -0.2922 0.104 Uiso 1 1 d R
O7W O -0.217(2) -1.035(2) -0.5818(18) 0.118(9) Uiso 1 1 d .
H31A H -0.2782 -0.9960 -0.5596 0.142 Uiso 1 1 d R
H31B H -0.2430 -1.0910 -0.6340 0.142 Uiso 1 1 d R
Sr1 Sr -0.17275(19) -1.33384(17) -0.39713(14) 0.0293(5) Uani 1 1 d .
Si1 Si 0.5000 0.0000 0.0000 0.0139(16) Uani 1 2 d S
Sr2 Sr 0.0000 -1.0000 -0.5000 0.0526(18) Uiso 0.60 2 d SP
Sr2' Sr -0.0597(11) -1.0330(9) -0.5038(7) 0.033(2) Uiso 0.20 1 d P
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'
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'
W W -0.8490 6.8722 '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'
K K 0.2009 0.2494 '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
O28 W1 O12 99.2(9) . .
O28 W1 O23 100.6(8) . .
O12 W1 O23 89.8(7) . .
O28 W1 O16 99.9(8) . .
O12 W1 O16 160.7(9) . .
O23 W1 O16 89.4(6) . .
O28 W1 O15 100.2(9) . .
O12 W1 O15 88.9(6) . .
O23 W1 O15 159.1(9) . .
O16 W1 O15 85.0(7) . .
O28 W1 O10 156.4(9) . .
O12 W1 O10 64.1(9) . .
O23 W1 O10 96.2(8) . .
O16 W1 O10 96.8(9) . .
O15 W1 O10 64.6(9) . .
O28 W1 O14 158.5(8) . .
O12 W1 O14 97.3(9) . .
O23 W1 O14 65.8(8) . .
O16 W1 O14 64.9(7) . .
O15 W1 O14 93.8(9) . .
O10 W1 O14 45.1(8) . .
O30 W2 O24 103.4(9) . .
O30 W2 O19 99.6(9) . .
O24 W2 O19 157.0(10) . .
O30 W2 O20 100.2(8) . .
O24 W2 O20 89.3(8) . .
O19 W2 O20 87.0(7) . .
O30 W2 O18 100.1(8) . 2_655
O24 W2 O18 86.9(7) . 2_655
O19 W2 O18 88.8(7) . 2_655
O20 W2 O18 159.6(8) . 2_655
O30 W2 O9 155.9(7) . .
O24 W2 O9 93.5(9) . .
O19 W2 O9 64.8(9) . .
O20 W2 O9 62.5(8) . .
O18 W2 O9 97.8(8) 2_655 .
O30 W2 O11 156.7(7) . 2_655
O24 W2 O11 63.2(9) . 2_655
O19 W2 O11 94.9(11) . 2_655
O20 W2 O11 98.7(9) . 2_655
O18 W2 O11 61.9(8) 2_655 2_655
O9 W2 O11 47.3(7) . 2_655
O27 W3 O13 100.9(8) . .
O27 W3 O22 102.8(8) . .
O13 W3 O22 88.3(7) . .
O27 W3 O18 99.3(8) . .
O13 W3 O18 89.2(7) . .
O22 W3 O18 157.9(8) . .
O27 W3 O16 99.9(8) . .
O13 W3 O16 159.2(8) . .
O22 W3 O16 87.6(6) . .
O18 W3 O16 87.0(6) . .
O27 W3 O11 157.6(9) . .
O13 W3 O11 65.9(9) . .
O22 W3 O11 95.1(8) . .
O18 W3 O11 64.0(8) . .
O16 W3 O11 94.2(10) . .
O27 W3 O14 157.7(9) . .
O13 W3 O14 96.3(8) . .
O22 W3 O14 63.4(7) . .
O18 W3 O14 95.0(8) . .
O16 W3 O14 63.8(8) . .
O11 W3 O14 44.5(9) . .
O26 W4 O21 102.0(9) . .
O26 W4 O22 101.8(7) . .
O21 W4 O22 88.7(8) . .
O26 W4 O20 99.7(8) . .
O21 W4 O20 88.3(7) . .
O22 W4 O20 158.5(8) . .
O26 W4 O23 99.0(8) . .
O21 W4 O23 158.9(8) . .
O22 W4 O23 87.1(6) . .
O20 W4 O23 88.1(7) . .
O26 W4 O9 158.8(9) . .
O21 W4 O9 65.1(9) . .
O22 W4 O9 94.9(8) . .
O20 W4 O9 64.5(8) . .
O23 W4 O9 94.7(8) . .
O26 W4 O14 156.0(9) . .
O21 W4 O14 96.0(9) . .
O22 W4 O14 62.7(7) . .
O20 W4 O14 96.5(8) . .
O23 W4 O14 63.8(7) . .
O9 W4 O14 45.0(8) . .
O29 W5 O17 99.1(9) . .
O29 W5 O15 100.7(9) . 2_655
O17 W5 O15 90.1(7) . 2_655
O29 W5 O19 102.1(8) . .
O17 W5 O19 158.8(10) . .
O15 W5 O19 86.8(7) 2_655 .
O29 W5 O21 102.0(9) . .
O17 W5 O21 88.1(9) . .
O15 W5 O21 157.1(10) 2_655 .
O19 W5 O21 86.7(7) . .
O29 W5 O9 157.2(8) . .
O17 W5 O9 96.0(10) . .
O15 W5 O9 96.2(9) 2_655 .
O19 W5 O9 63.6(8) . .
O21 W5 O9 61.4(8) . .
O29 W5 O10 154.4(9) . 2_655
O17 W5 O10 64.3(8) . 2_655
O15 W5 O10 62.1(9) 2_655 2_655
O19 W5 O10 96.0(9) . 2_655
O21 W5 O10 96.9(10) . 2_655
O9 W5 O10 48.4(9) . 2_655
O25 W6 O24 103.0(8) . .
O25 W6 O12 99.5(8) . .
O24 W6 O12 89.8(8) . .
O25 W6 O17 100.1(8) . 2_655
O24 W6 O17 156.9(9) . 2_655
O12 W6 O17 86.5(7) . 2_655
O25 W6 O13 101.6(8) . 2_655
O24 W6 O13 87.3(7) . 2_655
O12 W6 O13 158.8(8) . 2_655
O17 W6 O13 88.0(8) 2_655 2_655
O25 W6 O10 155.5(9) . .
O24 W6 O10 93.5(9) . .
O12 W6 O10 62.0(9) . .
O17 W6 O10 64.7(8) 2_655 .
O13 W6 O10 97.2(9) 2_655 .
O25 W6 O11 157.0(8) . 2_655
O24 W6 O11 62.2(8) . 2_655
O12 W6 O11 98.0(8) . 2_655
O17 W6 O11 95.7(9) 2_655 2_655
O13 W6 O11 62.2(8) 2_655 2_655
O10 W6 O11 47.5(9) . 2_655
Sr1 O1W H20A 109.5 . .
Sr1 O1W H20B 109.0 . .
H20A O1W H20B 109.5 . .
C3 O1 H1A 109.5 . .
Sr1 O2W H21A 110.3 . .
Sr1 O2W H21B 107.8 . .
H21A O2W H21B 109.5 . .
Sr1 O3W H22A 108.7 . .
Sr1 O3W H22B 108.8 . .
H22A O3W H22B 109.5 . .
C1 O4 Sr2' 99.1(13) . .
C1 O4 Sr2 87.2(13) . .
Sr2' O4 Sr2 14.1(3) . .
C1 O4 Sr2' 76.8(13) . 2_534
Sr2' O4 Sr2' 26.4(5) . 2_534
Sr2 O4 Sr2' 12.3(2) . 2_534
C1 O5 Sr2' 112.0(15) . 2_534
C1 O5 Sr2 100.1(14) . .
Sr2' O5 Sr2 15.2(3) 2_534 .
C1 O5 Sr2' 90.1(13) . .
Sr2' O5 Sr2' 27.6(5) 2_534 .
Sr2 O5 Sr2' 12.4(2) . .
Sr1 O5W H24B 110.1 . .
Sr1 O5W H24C 109.2 . .
H24B O5W H24C 109.5 . .
Sr2' O6W Sr1 109.5(6) 2_534 2_534
Sr2' O6W Sr2 14.3(3) 2_534 .
Sr1 O6W Sr2 122.4(6) 2_534 .
Sr2' O6W Sr2' 26.3(5) 2_534 .
Sr1 O6W Sr2' 133.0(6) 2_534 .
Sr2 O6W Sr2' 12.1(2) . .
Sr2' O6W H26A 120.3 2_534 .
Sr1 O6W H26A 54.7 2_534 .
Sr2 O6W H26A 120.9 . .
Sr2' O6W H26A 119.7 . .
Sr2' O6W H26B 120.0 2_534 .
Sr1 O6W H26B 95.7 2_534 .
Sr2 O6W H26B 120.1 . .
Sr2' O6W H26B 118.6 . .
H26A O6W H26B 118.8 . .
C11 O7 Sr1 134.8(14) . .
C2 O8 Sr1 131.6(14) 2_524 .
Si1 O9 O14 54.6(10) . .
Si1 O9 W4 125.9(14) . .
O14 O9 W4 71.3(11) . .
Si1 O9 W2 120.0(11) . .
O14 O9 W2 133.7(15) . .
W4 O9 W2 96.9(9) . .
Si1 O9 W5 117.9(13) . .
O14 O9 W5 131.4(13) . .
W4 O9 W5 95.7(8) . .
W2 O9 W5 93.4(9) . .
Si1 O10 O14 55.3(11) . .
Si1 O10 W1 124.2(12) . .
O14 O10 W1 68.9(11) . .
Si1 O10 W6 121.1(14) . .
O14 O10 W6 134.0(14) . .
W1 O10 W6 96.7(10) . .
Si1 O10 W5 118.5(13) . 2_655
O14 O10 W5 129.8(14) . 2_655
W1 O10 W5 95.7(10) . 2_655
W6 O10 W5 93.8(8) . 2_655
Si1 O11 O14 55.4(11) . .
Si1 O11 W3 125.4(16) . .
O14 O11 W3 70.0(11) . .
Si1 O11 W2 120.8(11) . 2_655
O14 O11 W2 133.4(17) . 2_655
W3 O11 W2 96.9(9) . 2_655
Si1 O11 W6 118.2(15) . 2_655
O14 O11 W6 131.2(14) . 2_655
W3 O11 W6 94.9(8) . 2_655
W2 O11 W6 93.3(10) 2_655 2_655
W1 O12 W6 137.1(12) . .
W3 O13 W6 136.6(10) . 2_655
Si1 O14 O10 56.8(11) . .
Si1 O14 O11 57.1(11) . .
O10 O14 O11 93.4(15) . .
Si1 O14 O9 57.4(11) . .
O10 O14 O9 91.7(15) . .
O11 O14 O9 94.8(17) . .
Si1 O14 W1 122.8(10) . .
O10 O14 W1 66.0(11) . .
O11 O14 W1 130.5(15) . .
O9 O14 W1 128.4(13) . .
Si1 O14 W3 122.7(12) . .
O10 O14 W3 132.6(14) . .
O11 O14 W3 65.5(10) . .
O9 O14 W3 130.0(13) . .
W1 O14 W3 95.1(8) . .
Si1 O14 W4 121.0(12) . .
O10 O14 W4 128.9(14) . .
O11 O14 W4 130.4(13) . .
O9 O14 W4 63.6(10) . .
W1 O14 W4 94.1(8) . .
W3 O14 W4 93.8(7) . .
W5 O15 W1 136.7(12) 2_655 .
W1 O16 W3 135.8(10) . .
W5 O17 W6 137.0(9) . 2_655
W3 O18 W2 136.7(11) . 2_655
W2 O19 W5 138.2(12) . .
W2 O20 W4 135.7(11) . .
W4 O21 W5 137.6(11) . .
W3 O22 W4 139.9(9) . .
W1 O23 W4 136.0(10) . .
W2 O24 W6 141.1(10) . .
C3 C14 N2 111.3(18) . .
C3 C14 H14A 109.4 . .
N2 C14 H14A 109.4 . .
C3 C14 H14B 109.4 . .
N2 C14 H14B 109.4 . .
H14A C14 H14B 108.0 . .
C4 C13 C12 111.2(15) . .
C4 C13 H13A 109.4 . .
C12 C13 H13A 109.4 . .
C4 C13 H13B 109.4 . .
C12 C13 H13B 109.4 . .
H13A C13 H13B 108.0 . .
C7 C12 C13 110(2) . .
C7 C12 H12A 109.6 . .
C13 C12 H12A 109.6 . .
C7 C12 H12B 109.6 . .
C13 C12 H12B 109.6 . .
H12A C12 H12B 108.1 . .
O7 C11 O6 128(2) . .
O7 C11 C9 116(2) . .
O6 C11 C9 116(2) . .
N2 C10 C1 115.3(16) . .
N2 C10 H10A 108.5 . .
C1 C10 H10A 108.5 . .
N2 C10 H10B 108.5 . .
C1 C10 H10B 108.5 . .
H10A C10 H10B 107.5 . .
N1 C9 C11 110.9(18) . .
N1 C9 H9A 109.5 . .
C11 C9 H9A 109.5 . .
N1 C9 H9B 109.5 . .
C11 C9 H9B 109.5 . .
H9A C9 H9B 108.0 . .
C7 C8 C5 111.6(19) . .
C7 C8 H8A 109.3 . .
C5 C8 H8A 109.3 . .
C7 C8 H8B 109.3 . .
C5 C8 H8B 109.3 . .
H8A C8 H8B 108.0 . .
C8 C7 C12 108.5(19) . .
C8 C7 H7A 110.0 . .
C12 C7 H7A 110.0 . .
C8 C7 H7B 110.0 . .
C12 C7 H7B 110.0 . .
H7A C7 H7B 108.4 . .
N1 C6 C2 111.6(17) . .
N1 C6 H6A 109.3 . .
C2 C6 H6A 109.3 . .
N1 C6 H6B 109.3 . .
C2 C6 H6B 109.3 . .
H6A C6 H6B 108.0 . .
C4 C5 N2 115.6(18) . .
C4 C5 C8 108.4(19) . .
N2 C5 C8 108.6(15) . .
C4 C5 H5A 108.0 . .
N2 C5 H5A 108.0 . .
C8 C5 H5A 108.0 . .
C13 C4 C5 108.7(17) . .
C13 C4 N1 111.3(13) . .
C5 C4 N1 110.6(18) . .
C13 C4 H4A 108.7 . .
C5 C4 H4A 108.7 . .
N1 C4 H4A 108.7 . .
O2 C3 O1 123(3) . .
O2 C3 C14 126(2) . .
O1 C3 C14 112(2) . .
O3 C2 O8 123(2) . 2_524
O3 C2 C6 120(2) . .
O8 C2 C6 116.8(19) 2_524 .
O5 C1 O4 125(2) . .
O5 C1 C10 122(2) . .
O4 C1 C10 114(2) . .
O5 C1 Sr2 56.9(12) . .
O4 C1 Sr2 68.0(11) . .
C10 C1 Sr2 175.8(16) . .
O5 C1 Sr2' 46.5(12) . 2_534
O4 C1 Sr2' 79.3(12) . 2_534
C10 C1 Sr2' 163.5(16) . 2_534
Sr2 C1 Sr2' 12.9(2) . 2_534
O5 C1 Sr2' 67.5(13) . .
O4 C1 Sr2' 57.5(11) . .
C10 C1 Sr2' 170.6(15) . .
Sr2 C1 Sr2' 12.4(2) . .
Sr2' C1 Sr2' 25.4(4) 2_534 .
C6 N1 C9 110.7(14) . .
C6 N1 C4 117.9(15) . .
C9 N1 C4 106.9(15) . .
C10 N2 C14 113.8(15) . .
C10 N2 C5 117.2(18) . .
C14 N2 C5 109.4(15) . .
Sr1 O4W H30A 148.5 . .
Sr1 O4W H30B 57.0 . .
H30A O4W H30B 109.5 . .
Sr2' O7W Sr2 12.5(4) . .
Sr2' O7W Sr2' 20.6(6) . 2_534
Sr2 O7W Sr2' 8.1(2) . 2_534
Sr2' O7W H31A 119.0 . .
Sr2 O7W H31A 120.3 . .
Sr2' O7W H31A 120.2 2_534 .
Sr2' O7W H31B 119.5 . .
Sr2 O7W H31B 120.8 . .
Sr2' O7W H31B 120.8 2_534 .
H31A O7W H31B 118.8 . .
O7 Sr1 O5W 73.4(6) . .
O7 Sr1 O4W 126.0(6) . .
O5W Sr1 O4W 152.7(7) . .
O7 Sr1 O2W 75.7(7) . .
O5W Sr1 O2W 135.7(6) . .
O4W Sr1 O2W 71.5(7) . .
O7 Sr1 O1W 84.3(7) . .
O5W Sr1 O1W 73.5(8) . .
O4W Sr1 O1W 123.1(8) . .
O2W Sr1 O1W 72.5(7) . .
O7 Sr1 O3W 158.6(6) . .
O5W Sr1 O3W 96.2(6) . .
O4W Sr1 O3W 71.0(6) . .
O2W Sr1 O3W 101.4(8) . .
O1W Sr1 O3W 74.7(8) . .
O7 Sr1 O8 117.0(5) . .
O5W Sr1 O8 75.7(6) . .
O4W Sr1 O8 77.9(6) . .
O2W Sr1 O8 147.9(6) . .
O1W Sr1 O8 134.9(6) . .
O3W Sr1 O8 76.9(6) . .
O7 Sr1 O6W 67.5(5) . 2_534
O5W Sr1 O6W 110.5(5) . 2_534
O4W Sr1 O6W 68.1(5) . 2_534
O2W Sr1 O6W 85.4(6) . 2_534
O1W Sr1 O6W 147.9(7) . 2_534
O3W Sr1 O6W 133.8(6) . 2_534
O8 Sr1 O6W 74.4(5) . 2_534
O7 Sr1 Sr2' 59.6(4) . .
O5W Sr1 Sr2' 128.7(4) . .
O4W Sr1 Sr2' 66.4(5) . .
O2W Sr1 Sr2' 51.4(6) . .
O1W Sr1 Sr2' 117.6(6) . .
O3W Sr1 Sr2' 134.9(5) . .
O8 Sr1 Sr2' 107.3(3) . .
O6W Sr1 Sr2' 34.3(4) 2_534 .
O7 Sr1 H30B 126.7 . .
O5W Sr1 H30B 159.5 . .
O4W Sr1 H30B 21.5 . .
O2W Sr1 H30B 57.1 . .
O1W Sr1 H30B 101.9 . .
O3W Sr1 H30B 63.4 . .
O8 Sr1 H30B 95.7 . .
O6W Sr1 H30B 84.3 2_534 .
Sr2' Sr1 H30B 71.5 . .
O14 Si1 O14 180.0(19) 2_655 .
O14 Si1 O10 112.1(12) 2_655 .
O14 Si1 O10 67.9(12) . .
O14 Si1 O10 67.9(12) 2_655 2_655
O14 Si1 O10 112.1(12) . 2_655
O10 Si1 O10 180(2) . 2_655
O14 Si1 O11 67.4(13) 2_655 2_655
O14 Si1 O11 112.6(13) . 2_655
O10 Si1 O11 73.2(14) . 2_655
O10 Si1 O11 106.8(14) 2_655 2_655
O14 Si1 O11 112.6(13) 2_655 .
O14 Si1 O11 67.4(13) . .
O10 Si1 O11 106.8(14) . .
O10 Si1 O11 73.2(14) 2_655 .
O11 Si1 O11 180(2) 2_655 .
O14 Si1 O9 112.0(12) 2_655 .
O14 Si1 O9 68.0(12) . .
O10 Si1 O9 104.8(13) . .
O10 Si1 O9 75.2(13) 2_655 .
O11 Si1 O9 71.9(11) 2_655 .
O11 Si1 O9 108.1(11) . .
O14 Si1 O9 68.0(12) 2_655 2_655
O14 Si1 O9 112.0(12) . 2_655
O10 Si1 O9 75.2(13) . 2_655
O10 Si1 O9 104.8(13) 2_655 2_655
O11 Si1 O9 108.1(11) 2_655 2_655
O11 Si1 O9 71.9(11) . 2_655
O9 Si1 O9 180(2) . 2_655
Sr2' Sr2 Sr2' 180(3) . 2_534
Sr2' Sr2 O7W 141.5(11) . 2_534
Sr2' Sr2 O7W 38.5(11) 2_534 2_534
Sr2' Sr2 O7W 38.5(11) . .
Sr2' Sr2 O7W 141.5(11) 2_534 .
O7W Sr2 O7W 180.000(3) 2_534 .
Sr2' Sr2 O5 113.8(10) . .
Sr2' Sr2 O5 66.2(10) 2_534 .
O7W Sr2 O5 88.6(7) 2_534 .
O7W Sr2 O5 91.4(7) . .
Sr2' Sr2 O5 66.2(10) . 2_534
Sr2' Sr2 O5 113.8(10) 2_534 2_534
O7W Sr2 O5 91.4(7) 2_534 2_534
O7W Sr2 O5 88.6(7) . 2_534
O5 Sr2 O5 180.000(3) . 2_534
Sr2' Sr2 O6W 69.9(10) . 2_534
Sr2' Sr2 O6W 110.1(10) 2_534 2_534
O7W Sr2 O6W 76.4(7) 2_534 2_534
O7W Sr2 O6W 103.6(7) . 2_534
O5 Sr2 O6W 98.4(5) . 2_534
O5 Sr2 O6W 81.6(5) 2_534 2_534
Sr2' Sr2 O6W 110.1(10) . .
Sr2' Sr2 O6W 69.9(10) 2_534 .
O7W Sr2 O6W 103.6(7) 2_534 .
O7W Sr2 O6W 76.4(7) . .
O5 Sr2 O6W 81.6(5) . .
O5 Sr2 O6W 98.4(5) 2_534 .
O6W Sr2 O6W 180.0(6) 2_534 .
Sr2' Sr2 O4 73.5(9) . .
Sr2' Sr2 O4 106.5(9) 2_534 .
O7W Sr2 O4 105.4(7) 2_534 .
O7W Sr2 O4 74.6(7) . .
O5 Sr2 O4 47.8(5) . .
O5 Sr2 O4 132.2(5) 2_534 .
O6W Sr2 O4 60.5(5) 2_534 .
O6W Sr2 O4 119.5(5) . .
Sr2' Sr2 O4 106.5(9) . 2_534
Sr2' Sr2 O4 73.5(9) 2_534 2_534
O7W Sr2 O4 74.6(7) 2_534 2_534
O7W Sr2 O4 105.4(7) . 2_534
O5 Sr2 O4 132.2(5) . 2_534
O5 Sr2 O4 47.8(5) 2_534 2_534
O6W Sr2 O4 119.5(5) 2_534 2_534
O6W Sr2 O4 60.5(5) . 2_534
O4 Sr2 O4 180.000(2) . 2_534
Sr2' Sr2 C1 94.9(10) . .
Sr2' Sr2 C1 85.1(10) 2_534 .
O7W Sr2 C1 96.6(7) 2_534 .
O7W Sr2 C1 83.4(7) . .
O5 Sr2 C1 23.0(5) . .
O5 Sr2 C1 157.0(5) 2_534 .
O6W Sr2 C1 79.4(5) 2_534 .
O6W Sr2 C1 100.6(5) . .
O4 Sr2 C1 24.8(5) . .
O4 Sr2 C1 155.2(5) 2_534 .
Sr2' Sr2 C1 85.1(10) . 2_534
Sr2' Sr2 C1 94.9(10) 2_534 2_534
O7W Sr2 C1 83.4(7) 2_534 2_534
O7W Sr2 C1 96.6(7) . 2_534
O5 Sr2 C1 157.0(5) . 2_534
O5 Sr2 C1 23.0(5) 2_534 2_534
O6W Sr2 C1 100.6(5) 2_534 2_534
O6W Sr2 C1 79.4(5) . 2_534
O4 Sr2 C1 155.2(5) . 2_534
O4 Sr2 C1 24.8(5) 2_534 2_534
C1 Sr2 C1 180.0(5) . 2_534
Sr2 Sr2' Sr2' 0.0(13) . 2_534
Sr2 Sr2' O7W 129.0(14) . .
Sr2' Sr2' O7W 129.0(14) 2_534 .
Sr2 Sr2' O5 98.6(11) . 2_534
Sr2' Sr2' O5 98.6(11) 2_534 2_534
O7W Sr2' O5 107.4(9) . 2_534
Sr2 Sr2' O6W 95.9(11) . 2_534
Sr2' Sr2' O6W 95.9(11) 2_534 2_534
O7W Sr2' O6W 127.1(10) . 2_534
O5 Sr2' O6W 88.7(6) 2_534 2_534
Sr2 Sr2' O4 92.4(9) . .
Sr2' Sr2' O4 92.4(9) 2_534 .
O7W Sr2' O4 85.2(9) . .
O5 Sr2' O4 151.4(7) 2_534 .
O6W Sr2' O4 63.9(5) 2_534 .
Sr2 Sr2' O5 53.9(9) . .
Sr2' Sr2' O5 53.9(9) 2_534 .
O7W Sr2' O5 92.9(9) . .
O5 Sr2' O5 152.4(5) 2_534 .
O6W Sr2' O5 93.8(6) 2_534 .
O4 Sr2' O5 45.8(5) . .
Sr2 Sr2' C1 82.0(10) . 2_534
Sr2' Sr2' C1 82.0(10) 2_534 2_534
O7W Sr2' C1 108.3(10) . 2_534
O5 Sr2' C1 21.5(5) 2_534 2_534
O6W Sr2' C1 103.9(6) 2_534 2_534
O4 Sr2' C1 166.1(7) . 2_534
O5 Sr2' C1 134.0(6) . 2_534
Sr2 Sr2' O6W 57.8(9) . .
Sr2' Sr2' O6W 57.8(9) 2_534 .
O7W Sr2' O6W 76.6(8) . .
O5 Sr2' O6W 94.9(6) 2_534 .
O6W Sr2' O6W 153.7(5) 2_534 .
O4 Sr2' O6W 113.1(5) . .
O5 Sr2' O6W 71.3(5) . .
C1 Sr2' O6W 74.6(6) 2_534 .
Sr2 Sr2' O4 61.2(9) . 2_534
Sr2' Sr2' O4 61.2(9) 2_534 2_534
O7W Sr2' O4 110.7(9) . 2_534
O5 Sr2' O4 45.2(5) 2_534 2_534
O6W Sr2' O4 115.6(6) 2_534 2_534
O4 Sr2' O4 153.6(5) . 2_534
O5 Sr2' O4 110.5(5) . 2_534
C1 Sr2' O4 24.0(5) 2_534 2_534
O6W Sr2' O4 54.4(5) . 2_534
Sr2 Sr2' O7W 30.4(9) . 2_534
Sr2' Sr2' O7W 30.4(9) 2_534 2_534
O7W Sr2' O7W 159.4(6) . 2_534
O5 Sr2' O7W 82.7(7) 2_534 2_534
O6W Sr2' O7W 69.7(7) 2_534 2_534
O4 Sr2' O7W 94.2(7) . 2_534
O5 Sr2' O7W 72.6(7) . 2_534
C1 Sr2' O7W 74.5(7) 2_534 2_534
O6W Sr2' O7W 84.8(6) . 2_534
O4 Sr2' O7W 63.4(6) 2_534 2_534
Sr2 Sr2' C1 72.7(9) . .
Sr2' Sr2' C1 72.7(9) 2_534 .
O7W Sr2' C1 88.3(9) . .
O5 Sr2' C1 164.0(8) 2_534 .
O6W Sr2' C1 79.2(6) 2_534 .
O4 Sr2' C1 23.4(5) . .
O5 Sr2' C1 22.4(5) . .
C1 Sr2' C1 154.6(4) 2_534 .
O6W Sr2' C1 91.5(6) . .
O4 Sr2' C1 132.3(6) 2_534 .
O7W Sr2' C1 83.4(7) 2_534 .
Sr2 Sr2' H21B 163.5 . .
Sr2' Sr2' H21B 163.5 2_534 .
O7W Sr2' H21B 63.5 . .
O5 Sr2' H21B 65.6 2_534 .
O6W Sr2' H21B 80.0 2_534 .
O4 Sr2' H21B 99.9 . .
O5 Sr2' H21B 141.9 . .
C1 Sr2' H21B 83.5 2_534 .
O6W Sr2' H21B 125.1 . .
O4 Sr2' H21B 106.0 2_534 .
O7W Sr2' H21B 136.4 2_534 .
C1 Sr2' H21B 121.5 . .
Sr2 Sr2' H31A 129.5 . .
Sr2' Sr2' H31A 129.5 2_534 .
O7W Sr2' H31A 19.0 . .
O5 Sr2' H31A 89.3 2_534 .
O6W Sr2' H31A 134.3 2_534 .
O4 Sr2' H31A 103.9 . .
O5 Sr2' H31A 108.0 . .
C1 Sr2' H31A 89.4 2_534 .
O6W Sr2' H31A 72.0 . .
O4 Sr2' H31A 94.1 2_534 .
O7W Sr2' H31A 154.7 2_534 .
C1 Sr2' H31A 106.6 . .
H21B Sr2' H31A 57.9 . .
Sr2 Sr2' H31B 129.6 . .
Sr2' Sr2' H31B 129.6 2_534 .
O7W Sr2' H31B 18.8 . .
O5 Sr2' H31B 122.0 2_534 .
O6W Sr2' H31B 112.2 2_534 .
O4 Sr2' H31B 66.7 . .
O5 Sr2' H31B 82.3 . .
C1 Sr2' H31B 126.5 2_534 .
O6W Sr2' H31B 87.9 . .
O4 Sr2' H31B 129.1 2_534 .
O7W Sr2' H31B 154.8 2_534 .
C1 Sr2' H31B 72.7 . .
H21B Sr2' H31B 66.1 . .
H31A Sr2' H31B 37.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
W1 O28 1.660(16) .
W1 O12 1.864(15) .
W1 O23 1.876(15) .
W1 O16 1.888(14) .
W1 O15 1.907(13) .
W1 O10 2.32(3) .
W1 O14 2.37(2) .
W2 O30 1.674(14) .
W2 O24 1.860(15) .
W2 O19 1.867(17) .
W2 O20 1.900(17) .
W2 O18 1.931(15) 2_655
W2 O9 2.40(2) .
W2 O11 2.40(2) 2_655
W3 O27 1.682(14) .
W3 O13 1.841(19) .
W3 O22 1.879(14) .
W3 O18 1.884(14) .
W3 O16 1.920(15) .
W3 O11 2.33(3) .
W3 O14 2.41(2) .
W4 O26 1.697(14) .
W4 O21 1.85(2) .
W4 O22 1.885(15) .
W4 O20 1.905(16) .
W4 O23 1.920(17) .
W4 O9 2.30(2) .
W4 O14 2.44(2) .
W5 O29 1.682(15) .
W5 O17 1.865(15) .
W5 O15 1.900(16) 2_655
W5 O19 1.904(18) .
W5 O21 1.920(19) .
W5 O9 2.44(3) .
W5 O10 2.45(2) 2_655
W6 O25 1.652(15) .
W6 O24 1.878(14) .
W6 O12 1.919(17) .
W6 O17 1.932(15) 2_655
W6 O13 1.944(18) 2_655
W6 O10 2.39(2) .
W6 O11 2.44(3) 2_655
O1W Sr1 2.620(18) .
O1W H20A 0.9599 .
O1W H20B 0.9599 .
O1 C3 1.35(3) .
O1 H1A 0.8200 .
O2W Sr1 2.63(2) .
O2W H21A 0.9601 .
O2W H21B 0.9604 .
O2 C3 1.22(3) .
O3 C2 1.23(2) .
O3W Sr1 2.639(17) .
O3W H22A 0.9600 .
O3W H22B 0.9602 .
O4 C1 1.28(2) .
O4 Sr2' 2.711(18) .
O4 Sr2 2.824(16) .
O4 Sr2' 3.090(19) 2_534
O5 C1 1.21(2) .
O5 Sr2' 2.40(2) 2_534
O5 Sr2 2.588(18) .
O5 Sr2' 2.93(2) .
O5W Sr1 2.539(16) .
O5W H24B 0.9601 .
O5W H24C 0.9601 .
O6 C11 1.26(3) .
O6W Sr2' 2.62(2) 2_534
O6W Sr1 2.742(14) 2_534
O6W Sr2 2.775(16) .
O6W Sr2' 3.079(19) .
O6W H26A 0.9600 .
O6W H26B 0.9600 .
O7 C11 1.24(3) .
O7 Sr1 2.532(15) .
O8 C2 1.25(3) 2_524
O8 Sr1 2.650(16) .
O9 Si1 1.65(2) .
O9 O14 1.82(3) .
O10 Si1 1.63(3) .
O10 O14 1.80(3) .
O10 W5 2.45(2) 2_655
O11 Si1 1.63(2) .
O11 O14 1.79(4) .
O11 W2 2.40(2) 2_655
O11 W6 2.44(3) 2_655
O13 W6 1.944(18) 2_655
O14 Si1 1.60(2) .
O15 W5 1.900(16) 2_655
O17 W6 1.932(15) 2_655
O18 W2 1.931(15) 2_655
C14 C3 1.42(3) .
C14 N2 1.51(3) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C13 C4 1.50(3) .
C13 C12 1.53(3) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C12 C7 1.53(3) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C11 C9 1.55(3) .
C10 N2 1.51(2) .
C10 C1 1.49(3) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C9 N1 1.51(2) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C8 C7 1.50(3) .
C8 C5 1.59(3) .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C6 N1 1.49(3) .
C6 C2 1.51(3) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C5 C4 1.54(3) .
C5 N2 1.53(3) .
C5 H5A 0.9800 .
C4 N1 1.55(2) .
C4 H4A 0.9800 .
C2 O8 1.25(3) 2_524
C1 Sr2 3.04(2) .
C1 Sr2' 3.06(2) 2_534
C1 Sr2' 3.18(2) .
N3 N3' 1.59(7) .
O4W Sr1 2.571(15) .
O4W H30A 0.9598 .
O4W H30B 0.9600 .
O7W Sr2' 1.98(3) .
O7W Sr2 2.47(3) .
O7W Sr2' 3.04(3) 2_534
O7W H31A 0.9599 .
O7W H31B 0.9601 .
Sr1 O6W 2.742(15) 2_534
Sr1 Sr2' 4.378(11) .
Sr1 H30B 2.2010 .
Si1 O14 1.60(2) 2_655
Si1 O10 1.63(3) 2_655
Si1 O11 1.63(2) 2_655
Si1 O9 1.65(2) 2_655
Sr2 Sr2' 0.687(12) .
Sr2 Sr2' 0.687(11) 2_534
Sr2 O7W 2.47(3) 2_534
Sr2 O5 2.588(18) 2_534
Sr2 O6W 2.775(16) 2_534
Sr2 O4 2.824(16) 2_534
Sr2 C1 3.04(2) 2_534
Sr2' Sr2' 1.37(2) 2_534
Sr2' O5 2.40(2) 2_534
Sr2' O6W 2.62(2) 2_534
Sr2' C1 3.06(2) 2_534
Sr2' O4 3.090(19) 2_534
Sr2' O7W 3.04(3) 2_534
Sr2' H21B 2.9859 .
Sr2' H31A 2.5849 .
Sr2' H31B 2.5905 .
