#------------------------------------------------------------------------------
#$Date: 2019-07-10 07:33:04 +0300 (Wed, 10 Jul 2019) $
#$Revision: 216917 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/02/17/2021715.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2021715
loop_
_publ_author_name
'Priya Vadhana, K. T.'
'Parveen, S.'
'Ushadevi, B.'
'Selvakumar, R.'
'Sangeetha, S.'
'Vairam, S.'
_publ_section_title
;
 New barium, strontium and strontium-doped barium squarates: synthesis,
 crystal structures and DNA/BSA binding, antioxidant and in vitro
 cytotoxicity studies
;
_journal_coeditor_code           LF3099
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229619009082
_journal_volume                  75
_journal_year                    2019
_chemical_formula_iupac          '[Ba0.85 Sr0.15 (C4 O4) (H2 O)3], H2 O'
_chemical_formula_moiety         'C4 H8 Ba0.85 O8 Sr0.15'
_chemical_formula_sum            'C4 H8 Ba0.85 O8 Sr0.15'
_chemical_formula_weight         313.99
_chemical_name_systematic
'Poly[[triaqua(μ-1,2-dioxocyclobut-3-ene-1,2-diolato)barium/strontium(0.85/0.15)] monohydrate]'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_audit_creation_method           SHELXL-2014/7
_cell_angle_alpha                95.18(4)
_cell_angle_beta                 106.64(5)
_cell_angle_gamma                108.33(4)
_cell_formula_units_Z            2
_cell_length_a                   6.8271(7)
_cell_length_b                   8.1878(9)
_cell_length_c                   8.8227(9)
_cell_measurement_reflns_used    9936
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      33.29
_cell_measurement_theta_min      3.25
_cell_volume                     439.6(2)
_computing_cell_refinement
;
APEX3 and SAINT (Bruker, 2016)
;
_computing_data_collection
;
APEX3 (Bruker, 2016)
;
_computing_data_reduction
;
SAINT and XPREP (Bruker, 2016)
;
_computing_molecular_graphics
;
ORTEP-3 (Farrugia, 2012) and Mercury (Macrae et al.,
2008)
;
_computing_publication_material
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_refinement
;
SHELXL2014 (Sheldrick, 2015b)
;
_computing_structure_solution
;
SHELXT2014 (Sheldrick, 2015a)
;
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Kappa APEX3 CMOS'
_diffrn_measurement_method       'ω and φ scan'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_unetI/netI     0.0273
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            15596
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.498
_diffrn_reflns_theta_min         3.334
_exptl_absorpt_coefficient_mu    4.773
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2016)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.372
_exptl_crystal_description       block
_exptl_crystal_F_000             299
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.150
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.508
_refine_diff_density_min         -1.582
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_matrix_type           full
_refine_ls_number_parameters     153
_refine_ls_number_reflns         2451
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.130
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0227
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0291P)²+0.6593P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0584
_refine_ls_wR_factor_ref         0.0595
_reflns_number_gt                2345
_reflns_number_total             2451
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            lf3099sup1.cif
_cod_data_source_block           BSMS
_cod_original_cell_volume        439.66(16)
_cod_database_code               2021715
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.449
_shelx_estimated_absorpt_t_max   0.647
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
C C1 0.3834(4) 0.4374(3) 0.6401(3) 0.0162(5) Uani d 1 . .
C C2 0.6250(4) 0.5030(4) 0.6913(3) 0.0164(5) Uani d 1 . .
C C3 0.6178(4) 0.3223(4) 0.6546(3) 0.0167(5) Uani d 1 . .
C C4 0.3797(4) 0.2583(3) 0.6074(3) 0.0161(5) Uani d 1 . .
O O1 0.2346(4) 0.4994(3) 0.6157(3) 0.0230(4) Uani d 1 . .
O O2 0.2245(3) 0.1134(3) 0.5482(3) 0.0246(4) Uani d 1 . .
O O3 0.7560(4) 0.2510(3) 0.6514(3) 0.0237(4) Uani d 1 . .
O O4 0.7727(3) 0.6518(3) 0.7349(3) 0.0227(4) Uani d 1 . .
O O5 0.6009(4) 0.9233(3) 0.7512(3) 0.0285(5) Uani d 1 . .
O O7 0.2702(5) 0.7107(4) 0.9459(3) 0.0379(6) Uani d 1 . .
O O8 1.1212(5) 0.3430(4) 0.9194(3) 0.0350(6) Uani d 1 . .
Ba Ba1 0.1365(2) 0.79377(17) 0.63652(10) 0.01297(10) Uani d 0.85 A 1
Sr Sr1 0.126(2) 0.7912(17) 0.6177(11) 0.01297(10) Uani d 0.15 A 2
O O6 0.2630(6) 1.0633(4) 0.9025(3) 0.0441(7) Uani d 1 . .
H H6B 0.306(8) 1.036(7) 0.996(4) 0.053 Uiso d 1 . .
H H6A 0.190(8) 1.128(6) 0.918(6) 0.053 Uiso d 1 . .
H H5B 0.655(10) 0.845(6) 0.740(8) 0.08(2) Uiso d 1 . .
H H5A 0.661(8) 1.011(4) 0.713(6) 0.048(14) Uiso d 1 . .
H H8A 1.005(5) 0.314(7) 0.837(4) 0.052(15) Uiso d 1 . .
H H7A 0.404(5) 0.771(6) 1.005(7) 0.08(2) Uiso d 1 . .
H H7B 0.268(9) 0.603(3) 0.933(7) 0.07(2) Uiso d 1 . .
H H8B 1.082(9) 0.337(11) 1.003(4) 0.10(3) Uiso d 1 . .
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'
O O 0.0106 0.0060 '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'
Sr Sr -1.5307 3.2498 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
O1 C1 C4 . . 132.2(3)
O1 C1 C2 . . 137.9(3)
C4 C1 C2 . . 89.6(2)
O1 C1 Sr1 . 2_566 58.1(3)
C4 C1 Sr1 . 2_566 75.7(3)
C2 C1 Sr1 . 2_566 154.5(3)
O4 C2 C3 . . 135.1(3)
O4 C2 C1 . . 135.0(3)
C3 C2 C1 . . 89.7(2)
O3 C3 C4 . . 134.2(3)
O3 C3 C2 . . 135.6(3)
C4 C3 C2 . . 89.9(2)
O2 C4 C1 . . 132.0(3)
O2 C4 C3 . . 136.9(3)
C1 C4 C3 . . 90.8(2)
O2 C4 Sr1 . 2_566 55.0(3)
C1 C4 Sr1 . 2_566 79.2(3)
C3 C4 Sr1 . 2_566 155.8(3)
O2 C4 Ba1 . 2_566 55.03(15)
C1 C4 Ba1 . 2_566 79.71(16)
C3 C4 Ba1 . 2_566 154.25(18)
C1 O1 Ba1 . . 145.98(19)
C1 O1 Sr1 . . 147.3(3)
C1 O1 Sr1 . 2_566 100.5(3)
Sr1 O1 Sr1 . 2_566 109.0(3)
C1 O1 Ba1 . 2_566 101.09(18)
Ba1 O1 Ba1 . 2_566 110.47(8)
C4 O2 Sr1 . 1_545 135.8(3)
C4 O2 Ba1 . 1_545 133.02(19)
C4 O2 Sr1 . 2_566 103.4(3)
Sr1 O2 Sr1 1_545 2_566 117.0(3)
C4 O2 Ba1 . 2_566 104.13(18)
Ba1 O2 Ba1 1_545 2_566 118.93(8)
C3 O3 Sr1 . 2_666 121.4(3)
C3 O3 Ba1 . 2_666 119.47(19)
C2 O4 Ba1 . 1_655 130.86(19)
C2 O4 Sr1 . 1_655 129.1(3)
Ba1 O5 H5B . . 113(5)
Sr1 O5 H5B . . 113(5)
Ba1 O5 H5A . . 115(4)
Sr1 O5 H5A . . 113(4)
H5B O5 H5A . . 110(3)
Ba1 O7 H7A . . 115(4)
Sr1 O7 H7A . . 116(4)
Ba1 O7 H7B . . 108(4)
Sr1 O7 H7B . . 107(4)
H7A O7 H7B . . 104(3)
H8A O8 H8B . . 107(3)
O1 Ba1 O2 . 1_565 141.84(9)
O1 Ba1 O6 . . 129.81(9)
O2 Ba1 O6 1_565 . 69.09(9)
O1 Ba1 O4 . 1_455 95.95(8)
O2 Ba1 O4 1_565 1_455 120.90(9)
O6 Ba1 O4 . 1_455 83.48(10)
O1 Ba1 O7 . . 69.45(9)
O2 Ba1 O7 1_565 . 129.60(10)
O6 Ba1 O7 . . 63.37(9)
O4 Ba1 O7 1_455 . 69.79(9)
O1 Ba1 O5 . . 76.65(9)
O2 Ba1 O5 1_565 . 79.21(9)
O6 Ba1 O5 . . 74.23(11)
O4 Ba1 O5 1_455 . 142.15(8)
O7 Ba1 O5 . . 72.92(10)
O1 Ba1 O3 . 2_666 71.60(8)
O2 Ba1 O3 1_565 2_666 74.41(8)
O6 Ba1 O3 . 2_666 136.67(10)
O4 Ba1 O3 1_455 2_666 136.70(9)
O7 Ba1 O3 . 2_666 134.88(9)
O5 Ba1 O3 . 2_666 76.77(9)
O1 Ba1 O2 . 2_566 133.28(9)
O2 Ba1 O2 1_565 2_566 61.07(8)
O6 Ba1 O2 . 2_566 93.88(10)
O4 Ba1 O2 1_455 2_566 70.33(7)
O7 Ba1 O2 . 2_566 135.78(10)
O5 Ba1 O2 . 2_566 140.07(8)
O3 Ba1 O2 2_666 2_566 88.17(8)
O1 Ba1 O1 . 2_566 69.53(8)
O2 Ba1 O1 1_565 2_566 114.02(8)
O6 Ba1 O1 . 2_566 147.10(10)
O4 Ba1 O1 1_455 2_566 66.68(7)
O7 Ba1 O1 . 2_566 114.79(9)
O5 Ba1 O1 . 2_566 138.38(9)
O3 Ba1 O1 2_666 2_566 70.15(7)
O2 Ba1 O1 2_566 2_566 64.00(7)
O1 Ba1 C4 . 2_566 113.96(9)
O2 Ba1 C4 1_565 2_566 80.87(8)
O6 Ba1 C4 . 2_566 108.56(11)
O4 Ba1 C4 1_455 2_566 59.33(7)
O7 Ba1 C4 . 2_566 129.12(10)
O5 Ba1 C4 . 2_566 157.24(8)
O3 Ba1 C4 2_666 2_566 87.37(8)
O2 Ba1 C4 2_566 2_566 20.83(6)
O1 Ba1 C4 2_566 2_566 44.55(7)
O1 Ba1 Ba1 . 2_566 36.97(6)
O2 Ba1 Ba1 1_565 2_566 135.48(6)
O6 Ba1 Ba1 . 2_566 155.07(8)
O4 Ba1 Ba1 1_455 2_566 78.78(7)
O7 Ba1 Ba1 . 2_566 93.87(9)
O5 Ba1 Ba1 . 2_566 110.32(9)
O3 Ba1 Ba1 2_666 2_566 66.46(6)
O2 Ba1 Ba1 2_566 2_566 96.45(7)
O1 Ba1 Ba1 2_566 2_566 32.56(5)
C4 Ba1 Ba1 2_566 2_566 77.05(7)
O2 Sr1 O1 1_565 . 143.9(5)
O2 Sr1 O3 1_565 2_666 77.1(3)
O1 Sr1 O3 . 2_666 73.2(3)
O2 Sr1 O2 1_565 2_566 63.0(3)
O1 Sr1 O2 . 2_566 137.5(4)
O3 Sr1 O2 2_666 2_566 92.6(3)
O2 Sr1 O4 1_565 1_455 121.3(5)
O1 Sr1 O4 . 1_455 94.7(4)
O3 Sr1 O4 2_666 1_455 141.0(4)
O2 Sr1 O4 2_566 1_455 71.3(3)
O2 Sr1 O5 1_565 . 78.7(3)
O1 Sr1 O5 . . 75.2(3)
O3 Sr1 O5 2_666 . 77.5(3)
O2 Sr1 O5 2_566 . 141.7(5)
O4 Sr1 O5 1_455 . 136.3(4)
O2 Sr1 O6 1_565 . 68.0(3)
O1 Sr1 O6 . . 124.4(4)
O3 Sr1 O6 2_666 . 136.8(5)
O2 Sr1 O6 2_566 . 93.6(4)
O4 Sr1 O6 1_455 . 80.8(3)
O5 Sr1 O6 . . 71.5(3)
O2 Sr1 O1 1_565 2_566 119.1(4)
O1 Sr1 O1 . 2_566 71.0(3)
O3 Sr1 O1 2_666 2_566 73.3(3)
O2 Sr1 O1 2_566 2_566 66.6(2)
O4 Sr1 O1 1_455 2_566 67.7(3)
O5 Sr1 O1 . 2_566 140.3(5)
O6 Sr1 O1 . 2_566 146.6(5)
O2 Sr1 O7 1_565 . 125.4(4)
O1 Sr1 O7 . . 67.0(3)
O3 Sr1 O7 2_666 . 133.3(5)
O2 Sr1 O7 2_566 . 133.4(5)
O4 Sr1 O7 1_455 . 67.2(3)
O5 Sr1 O7 . . 69.8(2)
O6 Sr1 O7 . . 60.2(2)
O1 Sr1 O7 2_566 . 113.5(4)
O2 Sr1 C4 1_565 2_566 83.6(3)
O1 Sr1 C4 . 2_566 116.9(4)
O3 Sr1 C4 2_666 2_566 91.5(3)
O2 Sr1 C4 2_566 2_566 21.61(11)
O4 Sr1 C4 1_455 2_566 60.5(2)
O5 Sr1 C4 . 2_566 160.9(4)
O6 Sr1 C4 . 2_566 108.6(4)
O1 Sr1 C4 2_566 2_566 46.17(17)
O7 Sr1 C4 . 2_566 127.7(4)
O2 Sr1 C1 1_565 2_566 105.0(3)
O1 Sr1 C1 . 2_566 91.7(3)
O3 Sr1 C1 2_666 2_566 83.6(3)
O2 Sr1 C1 2_566 2_566 46.33(18)
O4 Sr1 C1 1_455 2_566 59.3(2)
O5 Sr1 C1 . 2_566 159.4(4)
O6 Sr1 C1 . 2_566 128.9(5)
O1 Sr1 C1 2_566 2_566 21.33(10)
O7 Sr1 C1 . 2_566 120.1(4)
C4 Sr1 C1 2_566 2_566 25.15(10)
O2 Sr1 Sr1 1_565 2_566 142.0(4)
O1 Sr1 Sr1 . 2_566 36.9(2)
O3 Sr1 Sr1 2_666 2_566 69.3(3)
O2 Sr1 Sr1 2_566 2_566 100.7(4)
O4 Sr1 Sr1 1_455 2_566 78.9(4)
O5 Sr1 Sr1 . 2_566 109.7(5)
O6 Sr1 Sr1 . 2_566 149.9(5)
O1 Sr1 Sr1 2_566 2_566 34.07(16)
O7 Sr1 Sr1 . 2_566 91.3(4)
C4 Sr1 Sr1 2_566 2_566 80.1(3)
C1 Sr1 Sr1 2_566 2_566 55.0(2)
Ba1 O6 H6B . . 115(3)
Sr1 O6 H6B . . 118(3)
Ba1 O6 H6A . . 126(4)
Sr1 O6 H6A . . 125(4)
H6B O6 H6A . . 103(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
C1 O1 . 1.247(3)
C1 C4 . 1.459(4)
C1 C2 . 1.478(4)
C1 Sr1 2_566 3.372(12)
C2 O4 . 1.253(3)
C2 C3 . 1.468(4)
C3 O3 . 1.261(3)
C3 C4 . 1.459(4)
C4 O2 . 1.259(3)
C4 Sr1 2_566 3.325(12)
C4 Ba1 2_566 3.432(3)
O1 Ba1 . 2.701(3)
O1 Sr1 . 2.717(14)
O1 Sr1 2_566 2.913(12)
O1 Ba1 2_566 3.019(3)
O2 Sr1 1_545 2.683(13)
O2 Ba1 1_545 2.732(3)
O2 Sr1 2_566 2.800(12)
O2 Ba1 2_566 2.900(3)
O3 Sr1 2_666 2.746(12)
O3 Ba1 2_666 2.863(3)
O4 Ba1 1_655 2.806(3)
O4 Sr1 1_655 2.843(13)
O5 Ba1 . 2.838(3)
O5 Sr1 . 2.909(12)
O5 H5B . 0.846(19)
O5 H5A . 0.854(19)
O7 Ba1 . 2.837(3)
O7 Sr1 . 2.985(10)
O7 H7A . 0.86(2)
O7 H7B . 0.870(19)
O8 H8A . 0.857(19)
O8 H8B . 0.85(2)
Ba1 O2 1_565 2.732(3)
Ba1 O6 . 2.798(3)
Ba1 O4 1_455 2.806(3)
Ba1 O3 2_666 2.863(3)
Ba1 O2 2_566 2.900(3)
Ba1 O1 2_566 3.019(3)
Ba1 C4 2_566 3.432(4)
Ba1 Ba1 2_566 4.703(3)
Sr1 O2 1_565 2.683(13)
Sr1 O3 2_666 2.746(12)
Sr1 O2 2_566 2.800(12)
Sr1 O4 1_455 2.843(13)
Sr1 O6 . 2.912(12)
Sr1 O1 2_566 2.913(12)
Sr1 C4 2_566 3.325(12)
Sr1 C1 2_566 3.372(12)
Sr1 Sr1 2_566 4.59(3)
O6 H6B . 0.869(19)
O6 H6A . 0.859(19)
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
O5 H5B O4 . 0.846(19) 1.989(19) 2.832(3) 174(6)
O5 H5A O3 1_565 0.854(19) 2.05(2) 2.875(3) 164(5)
O8 H8A O3 . 0.857(19) 1.882(19) 2.738(4) 177(5)
O7 H7A O6 2_677 0.86(2) 2.11(2) 2.962(5) 166(6)
O7 H7B O8 1_455 0.870(19) 2.03(3) 2.822(4) 152(5)
O8 H8B O4 2_767 0.85(2) 2.22(4) 2.919(4) 139(5)
O8 H8B O7 2_667 0.85(2) 2.49(5) 3.149(4) 135(5)
O6 H6B O5 2_677 0.869(19) 2.10(3) 2.909(4) 155(4)
O6 H6A O8 1_465 0.859(19) 1.96(3) 2.761(4) 155(5)
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
_geom_torsion
O1 C1 C2 O4 . . 2.7(6)
C4 C1 C2 O4 . . 175.9(3)
Sr1 C1 C2 O4 2_566 . 122.1(6)
O1 C1 C2 C3 . . -172.1(4)
C4 C1 C2 C3 . . 1.1(2)
Sr1 C1 C2 C3 2_566 . -52.7(7)
O4 C2 C3 O3 . . -1.0(6)
C1 C2 C3 O3 . . 173.8(3)
O4 C2 C3 C4 . . -175.9(3)
C1 C2 C3 C4 . . -1.1(2)
O1 C1 C4 O2 . . -1.8(6)
C2 C1 C4 O2 . . -175.8(3)
Sr1 C1 C4 O2 2_566 . -16.8(4)
O1 C1 C4 C3 . . 172.8(3)
C2 C1 C4 C3 . . -1.1(2)
Sr1 C1 C4 C3 2_566 . 157.9(3)
O1 C1 C4 Sr1 . 2_566 14.9(4)
C2 C1 C4 Sr1 . 2_566 -159.0(3)
O1 C1 C4 Ba1 . 2_566 16.9(3)
C2 C1 C4 Ba1 . 2_566 -157.03(16)
O3 C3 C4 O2 . . 0.3(6)
C2 C3 C4 O2 . . 175.3(4)
O3 C3 C4 C1 . . -173.9(3)
C2 C3 C4 C1 . . 1.1(2)
O3 C3 C4 Sr1 . 2_566 -109.1(7)
C2 C3 C4 Sr1 . 2_566 65.9(7)
O3 C3 C4 Ba1 . 2_566 -106.3(5)
C2 C3 C4 Ba1 . 2_566 68.7(5)
C4 C1 O1 Ba1 . . -177.3(2)
C2 C1 O1 Ba1 . . -6.5(6)
C4 C1 O1 Sr1 . . -171.8(5)
C2 C1 O1 Sr1 . . -1.0(7)
Sr1 C1 O1 Sr1 2_566 . -154.7(4)
C4 C1 O1 Sr1 . 2_566 -17.1(4)
C2 C1 O1 Sr1 . 2_566 153.8(4)
C4 C1 O1 Ba1 . 2_566 -19.3(4)
C2 C1 O1 Ba1 . 2_566 151.6(3)
C1 C4 O2 Sr1 . 1_545 -136.0(5)
C3 C4 O2 Sr1 . 1_545 51.9(6)
Sr1 C4 O2 Sr1 2_566 1_545 -156.2(4)
C1 C4 O2 Ba1 . 1_545 -133.9(3)
C3 C4 O2 Ba1 . 1_545 54.0(5)
Ba1 C4 O2 Ba1 2_566 1_545 -156.5(3)
C1 C4 O2 Sr1 . 2_566 20.3(4)
C3 C4 O2 Sr1 . 2_566 -151.9(4)
C1 C4 O2 Ba1 . 2_566 22.7(4)
C3 C4 O2 Ba1 . 2_566 -149.5(3)
C4 C3 O3 Sr1 . 2_666 87.0(5)
C2 C3 O3 Sr1 . 2_666 -85.9(5)
C4 C3 O3 Ba1 . 2_666 85.8(4)
C2 C3 O3 Ba1 . 2_666 -87.1(4)
C3 C2 O4 Ba1 . 1_655 41.1(5)
C1 C2 O4 Ba1 . 1_655 -131.5(3)
C3 C2 O4 Sr1 . 1_655 44.4(5)
C1 C2 O4 Sr1 . 1_655 -128.2(4)

_cod_database_fobs_code 2021715
