# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2015

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_1
_database_code_depnum_ccdc_archive 'CCDC 1019427'
_audit_update_record             
;
2014-08-14 deposited with the CCDC.
2015-07-30 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B2 Cd O5 Sr'
_chemical_formula_weight         301.64

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
B B 0.0013 0.0007 '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'
Sr Sr -1.5307 3.2498 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cd Cd -0.8075 1.2024 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   'C2/c  '

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                   7.639(7)
_cell_length_b                   10.183(10)
_cell_length_c                   11.140(10)
_cell_angle_alpha                90.00
_cell_angle_beta                 99.247(10)
_cell_angle_gamma                90.00
_cell_volume                     855.2(14)
_cell_formula_units_Z            8
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    1005
_cell_measurement_theta_min      3.36
_cell_measurement_theta_max      27.57

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.203
_exptl_crystal_size_mid          0.104
_exptl_crystal_size_min          0.072
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    4.685
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1088
_exptl_absorpt_coefficient_mu    17.358
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.5265
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   ?

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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_%        ?
_diffrn_reflns_number            2569
_diffrn_reflns_av_R_equivalents  0.0266
_diffrn_reflns_av_sigmaI/netI    0.0333
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.36
_diffrn_reflns_theta_max         27.60
_reflns_number_total             994
_reflns_number_gt                843
_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 F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors 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/[σ²(Fo²)+(0.0202P)²+6.5560P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   ?
_refine_ls_hydrogen_treatment    ?
_refine_ls_extinction_method     SHELXL
_refine_ls_extinction_coef       0.00340(16)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         994
_refine_ls_number_parameters     84
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0242
_refine_ls_wR_factor_ref         0.0569
_refine_ls_wR_factor_gt          0.0538
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.071
_refine_ls_shift/su_max          0.001
_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
Sr1 Sr 1.0000 0.63224(7) 0.7500 0.00952(18) Uani 1 2 d S . .
Sr2 Sr 1.0000 0.81608(7) 0.2500 0.01038(18) Uani 1 2 d S . .
Cd1 Cd 0.83520(5) 0.90193(4) 0.55685(4) 0.01046(15) Uani 1 1 d . . .
B1 B 0.5923(8) 1.1370(6) 0.5046(6) 0.0107(12) Uani 1 1 d . . .
B2 B 0.7730(8) 0.9038(6) 0.8312(6) 0.0115(12) Uani 1 1 d . . .
O1 O 0.7174(5) 1.0952(4) 0.5962(3) 0.0133(8) Uani 1 1 d . . .
O2 O 0.7937(5) 0.8220(4) 0.7394(3) 0.0104(8) Uani 1 1 d . . .
O3 O 0.9396(5) 0.6963(4) 0.5234(3) 0.0127(8) Uani 1 1 d . . .
O4 O 0.8788(5) 0.9939(4) 0.3729(3) 0.0144(8) Uani 1 1 d . . .
O5 O 0.6120(5) 1.1168(4) 0.3806(3) 0.0130(8) Uani 1 1 d . . .


_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
Sr1 O2 2.484(4) 2_756 ?
Sr1 O2 2.484(4) . ?
Sr1 O3 2.576(4) 2_756 ?
Sr1 O3 2.576(4) . ?
Sr1 O1 2.598(4) 4_646 ?
Sr1 O1 2.598(4) 3_545 ?
Sr1 B1 2.931(7) 3_545 ?
Sr1 B1 2.931(7) 4_646 ?
Sr1 O5 2.980(5) 7_666 ?
Sr1 O5 2.980(5) 8_566 ?
Sr1 B2 3.158(7) 4_646 ?
Sr1 B2 3.158(6) 3_545 ?
Sr2 O4 2.534(4) 2_755 ?
Sr2 O4 2.534(4) . ?
Sr2 O5 2.562(4) 4_645 ?
Sr2 O5 2.562(4) 3_545 ?
Sr2 O2 2.667(4) 7_666 ?
Sr2 O2 2.667(4) 8_565 ?
Sr2 O1 2.688(4) 5_776 ?
Sr2 O1 2.688(4) 6_575 ?
Sr2 B2 3.094(7) 7_666 ?
Sr2 B2 3.094(7) 8_565 ?
Sr2 B1 3.351(7) 4_645 ?
Sr2 B1 3.351(7) 3_545 ?
Cd1 O1 2.236(4) . ?
Cd1 O2 2.259(4) . ?
Cd1 O3 2.292(4) . ?
Cd1 O4 2.325(4) . ?
Cd1 O3 2.367(4) 7_666 ?
Cd1 O4 2.441(4) 5_776 ?
Cd1 Sr2 3.686(2) 5_776 ?
Cd1 Sr1 3.943(3) 7_666 ?
B1 O1 1.349(7) . ?
B1 O3 1.359(7) 3_455 ?
B1 O5 1.429(8) . ?
B1 Sr1 2.931(7) 3_455 ?
B1 Sr2 3.351(7) 3_455 ?
B2 O2 1.348(7) . ?
B2 O4 1.354(7) 6_576 ?
B2 O5 1.441(8) 6_576 ?
B2 Sr2 3.094(7) 7_666 ?
B2 Sr1 3.158(6) 3_455 ?
O1 Sr1 2.598(4) 3_455 ?
O1 Sr2 2.688(4) 5_776 ?
O2 Sr2 2.667(4) 7_666 ?
O3 B1 1.359(7) 3_545 ?
O3 Cd1 2.367(4) 7_666 ?
O4 B2 1.354(7) 6_575 ?
O4 Cd1 2.441(4) 5_776 ?
O4 Sr1 3.260(5) 7_666 ?
O5 B2 1.441(8) 6_575 ?
O5 Sr2 2.562(4) 3_455 ?
O5 Sr1 2.980(5) 7_666 ?

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
O2 Sr1 O2 77.86(19) 2_756 . ?
O2 Sr1 O3 75.16(12) 2_756 2_756 ?
O2 Sr1 O3 82.07(12) . 2_756 ?
O2 Sr1 O3 82.07(12) 2_756 . ?
O2 Sr1 O3 75.16(12) . . ?
O3 Sr1 O3 150.66(18) 2_756 . ?
O2 Sr1 O1 123.31(12) 2_756 4_646 ?
O2 Sr1 O1 71.14(13) . 4_646 ?
O3 Sr1 O1 54.78(12) 2_756 4_646 ?
O3 Sr1 O1 130.56(12) . 4_646 ?
O2 Sr1 O1 71.14(13) 2_756 3_545 ?
O2 Sr1 O1 123.31(12) . 3_545 ?
O3 Sr1 O1 130.56(12) 2_756 3_545 ?
O3 Sr1 O1 54.78(12) . 3_545 ?
O1 Sr1 O1 163.30(18) 4_646 3_545 ?
O2 Sr1 B1 77.63(14) 2_756 3_545 ?
O2 Sr1 B1 100.87(15) . 3_545 ?
O3 Sr1 B1 151.35(15) 2_756 3_545 ?
O3 Sr1 B1 27.63(15) . 3_545 ?
O1 Sr1 B1 153.19(15) 4_646 3_545 ?
O1 Sr1 B1 27.41(14) 3_545 3_545 ?
O2 Sr1 B1 100.87(15) 2_756 4_646 ?
O2 Sr1 B1 77.63(14) . 4_646 ?
O3 Sr1 B1 27.63(15) 2_756 4_646 ?
O3 Sr1 B1 151.35(14) . 4_646 ?
O1 Sr1 B1 27.41(15) 4_646 4_646 ?
O1 Sr1 B1 153.19(14) 3_545 4_646 ?
B1 Sr1 B1 178.1(2) 3_545 4_646 ?
O2 Sr1 O5 144.64(11) 2_756 7_666 ?
O2 Sr1 O5 120.57(12) . 7_666 ?
O3 Sr1 O5 133.32(12) 2_756 7_666 ?
O3 Sr1 O5 75.23(12) . 7_666 ?
O1 Sr1 O5 91.98(12) 4_646 7_666 ?
O1 Sr1 O5 73.64(12) 3_545 7_666 ?
B1 Sr1 O5 69.64(14) 3_545 7_666 ?
B1 Sr1 O5 112.09(14) 4_646 7_666 ?
O2 Sr1 O5 120.57(12) 2_756 8_566 ?
O2 Sr1 O5 144.64(11) . 8_566 ?
O3 Sr1 O5 75.23(12) 2_756 8_566 ?
O3 Sr1 O5 133.32(11) . 8_566 ?
O1 Sr1 O5 73.64(12) 4_646 8_566 ?
O1 Sr1 O5 91.98(12) 3_545 8_566 ?
B1 Sr1 O5 112.09(14) 3_545 8_566 ?
B1 Sr1 O5 69.64(14) 4_646 8_566 ?
O5 Sr1 O5 63.35(16) 7_666 8_566 ?
O2 Sr1 B2 166.25(14) 2_756 4_646 ?
O2 Sr1 B2 100.07(16) . 4_646 ?
O3 Sr1 B2 118.25(14) 2_756 4_646 ?
O3 Sr1 B2 84.25(14) . 4_646 ?
O1 Sr1 B2 67.63(15) 4_646 4_646 ?
O1 Sr1 B2 99.60(16) 3_545 4_646 ?
B1 Sr1 B2 89.53(16) 3_545 4_646 ?
B1 Sr1 B2 91.86(17) 4_646 4_646 ?
O5 Sr1 B2 26.95(14) 7_666 4_646 ?
O5 Sr1 B2 68.74(14) 8_566 4_646 ?
O2 Sr1 B2 100.07(16) 2_756 3_545 ?
O2 Sr1 B2 166.25(14) . 3_545 ?
O3 Sr1 B2 84.25(14) 2_756 3_545 ?
O3 Sr1 B2 118.25(14) . 3_545 ?
O1 Sr1 B2 99.60(15) 4_646 3_545 ?
O1 Sr1 B2 67.63(15) 3_545 3_545 ?
B1 Sr1 B2 91.86(17) 3_545 3_545 ?
B1 Sr1 B2 89.53(16) 4_646 3_545 ?
O5 Sr1 B2 68.74(14) 7_666 3_545 ?
O5 Sr1 B2 26.95(14) 8_566 3_545 ?
B2 Sr1 B2 85.1(2) 4_646 3_545 ?
O4 Sr2 O4 88.74(19) 2_755 . ?
O4 Sr2 O5 112.14(14) 2_755 4_645 ?
O4 Sr2 O5 139.04(13) . 4_645 ?
O4 Sr2 O5 139.04(13) 2_755 3_545 ?
O4 Sr2 O5 112.14(14) . 3_545 ?
O5 Sr2 O5 75.28(19) 4_645 3_545 ?
O4 Sr2 O2 141.63(12) 2_755 7_666 ?
O4 Sr2 O2 88.28(13) . 7_666 ?
O5 Sr2 O2 53.20(12) 4_645 7_666 ?
O5 Sr2 O2 76.34(13) 3_545 7_666 ?
O4 Sr2 O2 88.28(13) 2_755 8_565 ?
O4 Sr2 O2 141.63(12) . 8_565 ?
O5 Sr2 O2 76.34(13) 4_645 8_565 ?
O5 Sr2 O2 53.20(12) 3_545 8_565 ?
O2 Sr2 O2 116.34(18) 7_666 8_565 ?
O4 Sr2 O1 77.21(14) 2_755 5_776 ?
O4 Sr2 O1 74.98(13) . 5_776 ?
O5 Sr2 O1 142.09(12) 4_645 5_776 ?
O5 Sr2 O1 75.13(13) 3_545 5_776 ?
O2 Sr2 O1 138.09(12) 7_666 5_776 ?
O2 Sr2 O1 67.07(12) 8_565 5_776 ?
O4 Sr2 O1 74.98(13) 2_755 6_575 ?
O4 Sr2 O1 77.21(13) . 6_575 ?
O5 Sr2 O1 75.13(13) 4_645 6_575 ?
O5 Sr2 O1 142.09(12) 3_545 6_575 ?
O2 Sr2 O1 67.07(12) 7_666 6_575 ?
O2 Sr2 O1 138.09(12) 8_565 6_575 ?
O1 Sr2 O1 140.72(17) 5_776 6_575 ?
O4 Sr2 B2 130.31(15) 2_755 7_666 ?
O4 Sr2 B2 112.81(16) . 7_666 ?
O5 Sr2 B2 27.51(14) 4_645 7_666 ?
O5 Sr2 B2 74.98(16) 3_545 7_666 ?
O2 Sr2 B2 25.71(14) 7_666 7_666 ?
O2 Sr2 B2 97.91(16) 8_565 7_666 ?
O1 Sr2 B2 149.78(14) 5_776 7_666 ?
O1 Sr2 B2 67.81(15) 6_575 7_666 ?
O4 Sr2 B2 112.81(16) 2_755 8_565 ?
O4 Sr2 B2 130.31(15) . 8_565 ?
O5 Sr2 B2 74.98(16) 4_645 8_565 ?
O5 Sr2 B2 27.51(14) 3_545 8_565 ?
O2 Sr2 B2 97.91(16) 7_666 8_565 ?
O2 Sr2 B2 25.71(14) 8_565 8_565 ?
O1 Sr2 B2 67.81(15) 5_776 8_565 ?
O1 Sr2 B2 149.78(15) 6_575 8_565 ?
B2 Sr2 B2 87.3(2) 7_666 8_565 ?
O4 Sr2 B1 88.68(15) 2_755 4_645 ?
O4 Sr2 B1 143.24(14) . 4_645 ?
O5 Sr2 B1 23.47(14) 4_645 4_645 ?
O5 Sr2 B1 93.17(15) 3_545 4_645 ?
O2 Sr2 B1 71.73(13) 7_666 4_645 ?
O2 Sr2 B1 74.90(13) 8_565 4_645 ?
O1 Sr2 B1 139.55(14) 5_776 4_645 ?
O1 Sr2 B1 66.73(14) 6_575 4_645 ?
B2 Sr2 B1 47.03(16) 7_666 4_645 ?
B2 Sr2 B1 83.91(16) 8_565 4_645 ?
O4 Sr2 B1 143.24(14) 2_755 3_545 ?
O4 Sr2 B1 88.68(15) . 3_545 ?
O5 Sr2 B1 93.17(15) 4_645 3_545 ?
O5 Sr2 B1 23.47(14) 3_545 3_545 ?
O2 Sr2 B1 74.90(13) 7_666 3_545 ?
O2 Sr2 B1 71.73(13) 8_565 3_545 ?
O1 Sr2 B1 66.73(14) 5_776 3_545 ?
O1 Sr2 B1 139.55(14) 6_575 3_545 ?
B2 Sr2 B1 83.91(16) 7_666 3_545 ?
B2 Sr2 B1 47.03(16) 8_565 3_545 ?
B1 Sr2 B1 114.1(2) 4_645 3_545 ?
O1 Cd1 O2 91.24(15) . . ?
O1 Cd1 O3 175.64(14) . . ?
O2 Cd1 O3 85.43(14) . . ?
O1 Cd1 O4 86.40(15) . . ?
O2 Cd1 O4 177.32(13) . . ?
O3 Cd1 O4 97.00(14) . . ?
O1 Cd1 O3 94.91(15) . 7_666 ?
O2 Cd1 O3 86.76(14) . 7_666 ?
O3 Cd1 O3 82.13(14) . 7_666 ?
O4 Cd1 O3 94.68(14) . 7_666 ?
O1 Cd1 O4 85.56(15) . 5_776 ?
O2 Cd1 O4 96.64(13) . 5_776 ?
O3 Cd1 O4 97.60(14) . 5_776 ?
O4 Cd1 O4 81.94(15) . 5_776 ?
O3 Cd1 O4 176.56(13) 7_666 5_776 ?
O1 Cd1 Sr1 132.01(11) . . ?
O2 Cd1 Sr1 43.23(10) . . ?
O3 Cd1 Sr1 45.66(10) . . ?
O4 Cd1 Sr1 138.62(10) . . ?
O3 Cd1 Sr1 96.16(11) 7_666 . ?
O4 Cd1 Sr1 86.02(10) 5_776 . ?
O1 Cd1 Sr2 46.42(11) . 5_776 ?
O2 Cd1 Sr2 80.75(11) . 5_776 ?
O3 Cd1 Sr2 135.35(10) . 5_776 ?
O4 Cd1 Sr2 96.70(12) . 5_776 ?
O3 Cd1 Sr2 138.47(9) 7_666 5_776 ?
O4 Cd1 Sr2 43.15(9) 5_776 5_776 ?
Sr1 Cd1 Sr2 101.07(7) . 5_776 ?
O1 Cd1 Sr2 124.18(10) . . ?
O2 Cd1 Sr2 144.53(10) . . ?
O3 Cd1 Sr2 59.10(10) . . ?
O4 Cd1 Sr2 37.92(10) . . ?
O3 Cd1 Sr2 88.06(10) 7_666 . ?
O4 Cd1 Sr2 88.87(10) 5_776 . ?
Sr1 Cd1 Sr2 102.76(5) . . ?
Sr2 Cd1 Sr2 123.67(4) 5_776 . ?
O1 Cd1 Sr1 91.24(10) . 7_666 ?
O2 Cd1 Sr1 125.66(11) . 7_666 ?
O3 Cd1 Sr1 88.44(10) . 7_666 ?
O4 Cd1 Sr1 55.72(11) . 7_666 ?
O3 Cd1 Sr1 38.97(9) 7_666 7_666 ?
O4 Cd1 Sr1 137.66(9) 5_776 7_666 ?
Sr1 Cd1 Sr1 124.64(4) . 7_666 ?
Sr2 Cd1 Sr1 133.47(3) 5_776 7_666 ?
Sr2 Cd1 Sr1 58.67(6) . 7_666 ?
O1 B1 O3 123.0(5) . 3_455 ?
O1 B1 O5 120.9(5) . . ?
O3 B1 O5 116.0(5) 3_455 . ?
O1 B1 Sr1 62.4(3) . 3_455 ?
O3 B1 Sr1 61.5(3) 3_455 3_455 ?
O5 B1 Sr1 168.0(4) . 3_455 ?
O1 B1 Sr2 147.0(4) . 3_455 ?
O3 B1 Sr2 79.6(3) 3_455 3_455 ?
O5 B1 Sr2 45.6(2) . 3_455 ?
Sr1 B1 Sr2 138.5(2) 3_455 3_455 ?
O2 B2 O4 126.8(6) . 6_576 ?
O2 B2 O5 114.3(5) . 6_576 ?
O4 B2 O5 118.7(5) 6_576 6_576 ?
O2 B2 Sr2 59.1(3) . 7_666 ?
O4 B2 Sr2 173.8(4) 6_576 7_666 ?
O5 B2 Sr2 55.2(3) 6_576 7_666 ?
O2 B2 Sr1 113.0(4) . 3_455 ?
O4 B2 Sr1 82.1(3) 6_576 3_455 ?
O5 B2 Sr1 69.6(3) 6_576 3_455 ?
Sr2 B2 Sr1 93.81(18) 7_666 3_455 ?
O2 B2 Sr1 35.2(2) . . ?
O4 B2 Sr1 114.0(4) 6_576 . ?
O5 B2 Sr1 118.5(4) 6_576 . ?
Sr2 B2 Sr1 71.81(15) 7_666 . ?
Sr1 B2 Sr1 148.1(2) 3_455 . ?
B1 O1 Cd1 112.8(4) . . ?
B1 O1 Sr1 90.2(3) . 3_455 ?
Cd1 O1 Sr1 125.23(17) . 3_455 ?
B1 O1 Sr2 140.8(4) . 5_776 ?
Cd1 O1 Sr2 96.51(14) . 5_776 ?
Sr1 O1 Sr2 93.64(14) 3_455 5_776 ?
B2 O2 Cd1 120.7(4) . . ?
B2 O2 Sr1 126.5(3) . . ?
Cd1 O2 Sr1 98.24(14) . . ?
B2 O2 Sr2 95.1(3) . 7_666 ?
Cd1 O2 Sr2 118.07(14) . 7_666 ?
Sr1 O2 Sr2 96.85(14) . 7_666 ?
B1 O3 Cd1 139.5(4) 3_545 . ?
B1 O3 Cd1 119.0(3) 3_545 7_666 ?
Cd1 O3 Cd1 97.87(14) . 7_666 ?
B1 O3 Sr1 90.8(3) 3_545 . ?
Cd1 O3 Sr1 94.83(13) . . ?
Cd1 O3 Sr1 105.74(15) 7_666 . ?
B2 O4 Cd1 116.8(4) 6_575 . ?
B2 O4 Cd1 103.3(3) 6_575 5_776 ?
Cd1 O4 Cd1 98.06(15) . 5_776 ?
B2 O4 Sr2 127.9(4) 6_575 . ?
Cd1 O4 Sr2 107.74(16) . . ?
Cd1 O4 Sr2 95.62(14) 5_776 . ?
B2 O4 Sr1 73.6(3) 6_575 7_666 ?
Cd1 O4 Sr1 88.17(12) . 7_666 ?
Cd1 O4 Sr1 173.77(16) 5_776 7_666 ?
Sr2 O4 Sr1 82.41(12) . 7_666 ?
B1 O5 B2 128.3(4) . 6_575 ?
B1 O5 Sr2 111.0(3) . 3_455 ?
B2 O5 Sr2 97.3(3) 6_575 3_455 ?
B1 O5 Sr1 121.9(3) . 7_666 ?
B2 O5 Sr1 83.4(3) 6_575 7_666 ?
Sr2 O5 Sr1 110.69(15) 3_455 7_666 ?

_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        27.60
_diffrn_measured_fraction_theta_full 0.995
_refine_diff_density_max         1.458
_refine_diff_density_min         -0.708
_refine_diff_density_rms         0.194
