# Electronic Supplementary Material (ESI) for CrystEngComm.
# This journal is © The Royal Society of Chemistry 2014

####################################################################### 
# 
# 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/. 
# 
# Audit and citation data items have may 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_finalta
_audit_block_doi                 10.5517/cc13rm8r
_database_code_depnum_ccdc_archive 'CCDC 1035594'
loop_
_citation_id
_citation_doi
_citation_year
1 10.1002/anie.201103960 2011
_audit_update_record             
;
2014-11-22 deposited with the CCDC.
2014-11-25 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            NSBBF
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'B3 Be3 F4 Na O9 Sr3'
_chemical_formula_weight         565.31

loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Be Be 0.0005 0.0002 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Na Na 0.0362 0.0249 '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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           hexagonal
_symmetry_space_group_name_H-M   ' R 3m'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-y, -x, z'
'x, x-y, z'
'-x+y, y, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'x+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, y+2/3, z+2/3'

_cell_length_a                   10.4466(13)
_cell_length_b                   10.4466(13)
_cell_length_c                   8.3093(17)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_volume                     785.3(2)
_cell_formula_units_Z            3
_cell_measurement_temperature    93(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            colorless
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    3.586
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             780
_exptl_absorpt_coefficient_mu    15.374
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.12
_exptl_absorpt_correction_T_max  0.24
_exptl_absorpt_process_details   'face indexed'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      93(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'Rotating Anode'
_diffrn_radiation_monochromator  'Graphite Monochromator'
_diffrn_measurement_device_type  'Rigaku AFC10 diffractometer'
_diffrn_measurement_method       dtprofit.ref
_diffrn_detector_area_resol_mean 28.5714
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            2821
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_av_sigmaI/netI    0.0811
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_theta_min         3.33
_diffrn_reflns_theta_max         30.98
_reflns_number_total             639
_reflns_number_gt                553
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_cell_refinement       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        'CrystalClear (Rigaku Inc., 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  Diamond

_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)+(0.0500P)²+0.0000P] 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     none
_refine_ls_extinction_coef       ?
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.009(17)
_refine_ls_number_reflns         639
_refine_ls_number_parameters     46
_refine_ls_number_restraints     1
_refine_ls_R_factor_all          0.0305
_refine_ls_R_factor_gt           0.0271
_refine_ls_wR_factor_ref         0.0641
_refine_ls_wR_factor_gt          0.0632
_refine_ls_goodness_of_fit_ref   0.640
_refine_ls_restrained_S_all      0.640
_refine_ls_shift/su_max          0.000
_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
Sr Sr 0.20209(3) 0.79791(3) 0.27979(8) 0.00752(13) Uani 1 2 d S . .
Na Na 0.0000 0.0000 0.2814(6) 0.0163(11) Uani 1 6 d S . .
Be Be 0.7515(4) 0.2485(4) 0.3127(9) 0.0025(13) Uani 1 2 d S . .
B B 0.5136(4) 0.4864(4) 0.4230(8) 0.0068(13) Uani 1 2 d S . .
F1 F 0.4278(2) 0.5722(2) 0.1195(5) 0.0106(8) Uani 1 2 d S . .
F2 F 0.0000 0.0000 0.0009(9) 0.0164(15) Uani 1 6 d S . .
O1 O 0.2396(3) 0.0041(3) 0.0669(4) 0.0090(6) Uani 1 1 d . . .
O2 O 0.7719(2) 0.2281(2) 0.1302(6) 0.0117(9) Uani 1 2 d S . .


_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
Sr F1 2.422(4) 7_455 ?
Sr F1 2.505(2) 3_565 ?
Sr F1 2.505(2) 2_665 ?
Sr O2 2.660(3) 8 ?
Sr O2 2.660(3) 9_565 ?
Sr O1 2.660(3) 4_565 ?
Sr O1 2.660(3) 1_565 ?
Sr O1 2.981(3) 9_565 ?
Sr O1 2.981(3) 11_455 ?
Sr B 3.153(5) 2_665 ?
Sr B 3.153(5) 3_565 ?
Sr Be 3.277(8) 13_454 ?
Na F1 2.225(5) 7_445 ?
Na F1 2.225(5) 8 ?
Na F1 2.225(5) 9_455 ?
Na F2 2.331(9) . ?
Na Be 2.941(8) 15_554 ?
Na Be 2.941(8) 14_544 ?
Na Be 2.941(8) 13_444 ?
Na Sr 3.638(4) 9_455 ?
Na Sr 3.638(4) 8 ?
Na Sr 3.638(4) 7_445 ?
Na Sr 3.6567(7) 3_455 ?
Na Sr 3.6567(7) 2_665 ?
Be F2 1.545(7) 7 ?
Be O2 1.561(9) . ?
Be O1 1.582(5) 7 ?
Be O1 1.582(5) 10 ?
Be Be 2.657(12) 2_655 ?
Be Be 2.657(12) 3_665 ?
Be Na 2.941(8) 7 ?
Be Sr 3.277(8) 7_545 ?
Be Sr 3.689(6) 14_654 ?
Be Sr 3.689(6) 15_554 ?
B O1 1.364(4) 12 ?
B O1 1.364(4) 8 ?
B O2 1.398(8) 7_455 ?
B Sr 3.153(5) 2_665 ?
B Sr 3.153(5) 3_565 ?
F1 Na 2.225(5) 13_554 ?
F1 Sr 2.422(4) 13_544 ?
F1 Sr 2.505(2) 3_565 ?
F1 Sr 2.505(2) 2_665 ?
F2 Be 1.545(7) 15_554 ?
F2 Be 1.545(7) 14_544 ?
F2 Be 1.545(7) 13_444 ?
O1 B 1.364(4) 15_554 ?
O1 Be 1.582(5) 13_444 ?
O1 Sr 2.660(3) 1_545 ?
O1 Sr 2.981(3) 14_654 ?
O2 B 1.398(8) 13_544 ?
O2 Sr 2.660(3) 14_654 ?
O2 Sr 2.660(3) 15_554 ?

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
F1 Sr F1 143.52(8) 7_455 3_565 ?
F1 Sr F1 143.52(8) 7_455 2_665 ?
F1 Sr F1 72.41(17) 3_565 2_665 ?
F1 Sr O2 95.12(11) 7_455 8 ?
F1 Sr O2 110.30(11) 3_565 8 ?
F1 Sr O2 67.32(12) 2_665 8 ?
F1 Sr O2 95.12(11) 7_455 9_565 ?
F1 Sr O2 67.32(12) 3_565 9_565 ?
F1 Sr O2 110.30(11) 2_665 9_565 ?
O2 Sr O2 76.64(19) 8 9_565 ?
F1 Sr O1 86.17(10) 7_455 4_565 ?
F1 Sr O1 73.28(10) 3_565 4_565 ?
F1 Sr O1 106.10(11) 2_665 4_565 ?
O2 Sr O1 170.09(12) 8 4_565 ?
O2 Sr O1 113.07(12) 9_565 4_565 ?
F1 Sr O1 86.17(10) 7_455 1_565 ?
F1 Sr O1 106.10(11) 3_565 1_565 ?
F1 Sr O1 73.28(10) 2_665 1_565 ?
O2 Sr O1 113.07(12) 8 1_565 ?
O2 Sr O1 170.09(12) 9_565 1_565 ?
O1 Sr O1 57.15(13) 4_565 1_565 ?
F1 Sr O1 68.75(6) 7_455 9_565 ?
F1 Sr O1 147.66(10) 3_565 9_565 ?
F1 Sr O1 76.01(11) 2_665 9_565 ?
O2 Sr O1 49.10(11) 8 9_565 ?
O2 Sr O1 119.07(11) 9_565 9_565 ?
O1 Sr O1 123.16(10) 4_565 9_565 ?
O1 Sr O1 70.55(3) 1_565 9_565 ?
F1 Sr O1 68.75(6) 7_455 11_455 ?
F1 Sr O1 76.01(11) 3_565 11_455 ?
F1 Sr O1 147.66(10) 2_665 11_455 ?
O2 Sr O1 119.07(11) 8 11_455 ?
O2 Sr O1 49.10(11) 9_565 11_455 ?
O1 Sr O1 70.55(3) 4_565 11_455 ?
O1 Sr O1 123.16(11) 1_565 11_455 ?
O1 Sr O1 133.81(12) 9_565 11_455 ?
F1 Sr B 88.04(9) 7_455 2_665 ?
F1 Sr B 125.89(11) 3_565 2_665 ?
F1 Sr B 61.86(13) 2_665 2_665 ?
O2 Sr B 26.09(14) 8 2_665 ?
O2 Sr B 102.27(17) 9_565 2_665 ?
O1 Sr B 144.55(14) 4_565 2_665 ?
O1 Sr B 87.58(14) 1_565 2_665 ?
O1 Sr B 25.49(10) 9_565 2_665 ?
O1 Sr B 138.15(14) 11_455 2_665 ?
F1 Sr B 88.04(9) 7_455 3_565 ?
F1 Sr B 61.86(13) 3_565 3_565 ?
F1 Sr B 125.89(11) 2_665 3_565 ?
O2 Sr B 102.27(17) 8 3_565 ?
O2 Sr B 26.09(14) 9_565 3_565 ?
O1 Sr B 87.58(14) 4_565 3_565 ?
O1 Sr B 144.55(14) 1_565 3_565 ?
O1 Sr B 138.15(14) 9_565 3_565 ?
O1 Sr B 25.49(10) 11_455 3_565 ?
B Sr B 127.2(3) 2_665 3_565 ?
F1 Sr Be 86.06(16) 7_455 13_454 ?
F1 Sr Be 89.32(13) 3_565 13_454 ?
F1 Sr Be 89.32(13) 2_665 13_454 ?
O2 Sr Be 141.61(10) 8 13_454 ?
O2 Sr Be 141.61(10) 9_565 13_454 ?
O1 Sr Be 28.58(7) 4_565 13_454 ?
O1 Sr Be 28.58(7) 1_565 13_454 ?
O1 Sr Be 97.16(8) 9_565 13_454 ?
O1 Sr Be 97.16(8) 11_455 13_454 ?
B Sr Be 116.12(12) 2_665 13_454 ?
B Sr Be 116.12(13) 3_565 13_454 ?
F1 Na F1 83.4(2) 7_445 8 ?
F1 Na F1 83.4(2) 7_445 9_455 ?
F1 Na F1 83.4(2) 8 9_455 ?
F1 Na F2 129.82(14) 7_445 . ?
F1 Na F2 129.82(14) 8 . ?
F1 Na F2 129.82(14) 9_455 . ?
F1 Na Be 138.31(10) 7_445 15_554 ?
F1 Na Be 138.31(10) 8 15_554 ?
F1 Na Be 98.39(18) 9_455 15_554 ?
F2 Na Be 31.44(15) . 15_554 ?
F1 Na Be 138.31(10) 7_445 14_544 ?
F1 Na Be 98.39(18) 8 14_544 ?
F1 Na Be 138.31(10) 9_455 14_544 ?
F2 Na Be 31.44(15) . 14_544 ?
Be Na Be 53.7(3) 15_554 14_544 ?
F1 Na Be 98.39(18) 7_445 13_444 ?
F1 Na Be 138.31(10) 8 13_444 ?
F1 Na Be 138.31(10) 9_455 13_444 ?
F2 Na Be 31.44(15) . 13_444 ?
Be Na Be 53.7(3) 15_554 13_444 ?
Be Na Be 53.7(3) 14_544 13_444 ?
F1 Na Sr 42.62(8) 7_445 9_455 ?
F1 Na Sr 42.62(8) 8 9_455 ?
F1 Na Sr 90.92(18) 9_455 9_455 ?
F2 Na Sr 139.25(5) . 9_455 ?
Be Na Sr 170.69(18) 15_554 9_455 ?
Be Na Sr 118.44(11) 14_544 9_455 ?
Be Na Sr 118.44(11) 13_444 9_455 ?
F1 Na Sr 42.62(8) 7_445 8 ?
F1 Na Sr 90.92(18) 8 8 ?
F1 Na Sr 42.62(8) 9_455 8 ?
F2 Na Sr 139.25(5) . 8 ?
Be Na Sr 118.44(11) 15_554 8 ?
Be Na Sr 170.69(17) 14_544 8 ?
Be Na Sr 118.44(11) 13_444 8 ?
Sr Na Sr 68.84(8) 9_455 8 ?
F1 Na Sr 90.92(18) 7_445 7_445 ?
F1 Na Sr 42.62(8) 8 7_445 ?
F1 Na Sr 42.62(8) 9_455 7_445 ?
F2 Na Sr 139.25(5) . 7_445 ?
Be Na Sr 118.44(11) 15_554 7_445 ?
Be Na Sr 118.44(11) 14_544 7_445 ?
Be Na Sr 170.69(17) 13_444 7_445 ?
Sr Na Sr 68.84(8) 9_455 7_445 ?
Sr Na Sr 68.84(8) 8 7_445 ?
F1 Na Sr 112.73(9) 7_445 3_455 ?
F1 Na Sr 112.73(9) 8 3_455 ?
F1 Na Sr 40.03(10) 9_455 3_455 ?
F2 Na Sr 89.79(8) . 3_455 ?
Be Na Sr 58.35(15) 15_554 3_455 ?
Be Na Sr 104.93(11) 14_544 3_455 ?
Be Na Sr 104.93(11) 13_444 3_455 ?
Sr Na Sr 130.96(12) 9_455 3_455 ?
Sr Na Sr 71.12(4) 8 3_455 ?
Sr Na Sr 71.12(4) 7_445 3_455 ?
F1 Na Sr 112.73(9) 7_445 2_665 ?
F1 Na Sr 40.03(10) 8 2_665 ?
F1 Na Sr 112.73(9) 9_455 2_665 ?
F2 Na Sr 89.79(8) . 2_665 ?
Be Na Sr 104.93(11) 15_554 2_665 ?
Be Na Sr 58.35(15) 14_544 2_665 ?
Be Na Sr 104.93(11) 13_444 2_665 ?
Sr Na Sr 71.12(4) 9_455 2_665 ?
Sr Na Sr 130.96(12) 8 2_665 ?
Sr Na Sr 71.12(4) 7_445 2_665 ?
Sr Na Sr 119.999(1) 3_455 2_665 ?
F2 Be O2 110.4(6) 7 . ?
F2 Be O1 108.7(4) 7 7 ?
O2 Be O1 110.9(3) . 7 ?
F2 Be O1 108.7(4) 7 10 ?
O2 Be O1 110.9(3) . 10 ?
O1 Be O1 107.1(5) 7 10 ?
F2 Be Be 30.66(8) 7 2_655 ?
O2 Be Be 101.9(3) . 2_655 ?
O1 Be Be 85.6(3) 7 2_655 ?
O1 Be Be 136.7(3) 10 2_655 ?
F2 Be Be 30.66(8) 7 3_665 ?
O2 Be Be 101.9(3) . 3_665 ?
O1 Be Be 136.7(3) 7 3_665 ?
O1 Be Be 85.6(3) 10 3_665 ?
Be Be Be 60.000(1) 2_655 3_665 ?
F2 Be Na 51.9(4) 7 7 ?
O2 Be Na 162.3(4) . 7 ?
O1 Be Na 78.7(3) 7 7 ?
O1 Be Na 78.7(3) 10 7 ?
Be Be Na 63.15(13) 2_655 7 ?
Be Be Na 63.15(13) 3_665 7 ?
F2 Be Sr 123.7(5) 7 7_545 ?
O2 Be Sr 125.9(4) . 7_545 ?
O1 Be Sr 53.5(3) 7 7_545 ?
O1 Be Sr 53.5(3) 10 7_545 ?
Be Be Sr 124.12(10) 2_655 7_545 ?
Be Be Sr 124.12(10) 3_665 7_545 ?
Na Be Sr 71.81(17) 7 7_545 ?
F2 Be Sr 90.1(4) 7 14_654 ?
O2 Be Sr 38.83(14) . 14_654 ?
O1 Be Sr 149.6(4) 7 14_654 ?
O1 Be Sr 88.1(2) 10 14_654 ?
Be Be Sr 101.38(10) 2_655 14_654 ?
Be Be Sr 68.89(10) 3_665 14_654 ?
Na Be Sr 130.90(17) 7 14_654 ?
Sr Be Sr 133.58(15) 7_545 14_654 ?
F2 Be Sr 90.1(4) 7 15_554 ?
O2 Be Sr 38.83(14) . 15_554 ?
O1 Be Sr 88.1(2) 7 15_554 ?
O1 Be Sr 149.6(4) 10 15_554 ?
Be Be Sr 68.89(10) 2_655 15_554 ?
Be Be Sr 101.38(10) 3_665 15_554 ?
Na Be Sr 130.90(17) 7 15_554 ?
Sr Be Sr 133.58(15) 7_545 15_554 ?
Sr Be Sr 67.75(13) 14_654 15_554 ?
O1 B O1 124.8(6) 12 8 ?
O1 B O2 117.6(3) 12 7_455 ?
O1 B O2 117.6(3) 8 7_455 ?
O1 B Sr 70.2(2) 12 2_665 ?
O1 B Sr 144.7(4) 8 2_665 ?
O2 B Sr 56.8(2) 7_455 2_665 ?
O1 B Sr 144.7(4) 12 3_565 ?
O1 B Sr 70.2(2) 8 3_565 ?
O2 B Sr 56.8(2) 7_455 3_565 ?
Sr B Sr 81.41(15) 2_665 3_565 ?
Na F1 Sr 103.74(19) 13_554 13_544 ?
Na F1 Sr 100.41(11) 13_554 3_565 ?
Sr F1 Sr 118.89(9) 13_544 3_565 ?
Na F1 Sr 100.41(11) 13_554 2_665 ?
Sr F1 Sr 118.89(9) 13_544 2_665 ?
Sr F1 Sr 110.37(15) 3_565 2_665 ?
Be F2 Be 118.68(16) 15_554 14_544 ?
Be F2 Be 118.68(16) 15_554 13_444 ?
Be F2 Be 118.68(16) 14_544 13_444 ?
Be F2 Na 96.7(4) 15_554 . ?
Be F2 Na 96.7(4) 14_544 . ?
Be F2 Na 96.7(4) 13_444 . ?
B O1 Be 121.5(4) 15_554 13_444 ?
B O1 Sr 128.1(3) 15_554 1_545 ?
Be O1 Sr 97.9(3) 13_444 1_545 ?
B O1 Sr 84.3(3) 15_554 14_654 ?
Be O1 Sr 128.2(3) 13_444 14_654 ?
Sr O1 Sr 97.37(9) 1_545 14_654 ?
B O2 Be 117.7(5) 13_544 . ?
B O2 Sr 97.1(2) 13_544 14_654 ?
Be O2 Sr 119.59(18) . 14_654 ?
B O2 Sr 97.1(2) 13_544 15_554 ?
Be O2 Sr 119.59(18) . 15_554 ?
Sr O2 Sr 101.27(17) 14_654 15_554 ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        30.98
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         0.867
_refine_diff_density_min         -0.733
_refine_diff_density_rms         0.159
