<i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en-1-olato-κ<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-μ-aqua}bis(μ-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato-κ^2^<i>O</i>^1^:<i>O</i>^3^)] monohydrate]
Trifa, Chahrazed; Bouhali, Amira; Bouacida, Sofiane; Boudaren, Chaouki; Bataille, Thierry; Acta Crystallographica Section E 67 (2011) m275–m276; doi:10.1107/S1600536811002996

data_2228957
_publ_section_title
;
 <i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en-1-olato-\k<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-\m-aqua}bis(\m-2-hydroxy-4-oxocyclobut-1-ene-1,3-diolato-\k^2^<i>O</i>^1^:<i>O</i>^3^)]
 monohydrate]
;
_journal_coeditor_code           BQ2274
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m275
_journal_page_last               m276
_journal_paper_doi               10.1107/S1600536811002996
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Ba0.71 Sr1.29 (C4 H O4)4 (H2 O)10], H2 O'
_chemical_formula_moiety         'C16 H24 Ba0.71 O26 Sr1.29, H2 O'
_chemical_formula_sum            'C16 H26 Ba0.71 O27 Sr1.29'
_chemical_formula_weight         860.70
_chemical_name_systematic
;
<i>catena</i>-Poly[[{bis[tetraaqua(2-hydroxy-3,4-dioxocyclobut-1-en-
1-olato-\k<i>O</i>^1^)bariumstrontium(0.35/0.65)]di-\m-aqua}bis(\m-2-
hydroxy-4-oxocyclobut-1-ene-1,3-diolato-\k^2^<i>O</i>^1^:<i>O</i>^3^)]
monohydrate]
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 119.974(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.3592(9)
_cell_length_b                   8.8993(3)
_cell_length_c                   14.1286(5)
_cell_measurement_reflns_used    18241
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      2.91
_cell_volume                     2762.07(18)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Berndt, 2001)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR2002 (Burla <i>et al.</i>, 2003)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0772
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            18241
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.23
_exptl_absorpt_coefficient_mu    3.616
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.070
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             1706.4
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.958
_refine_diff_density_min         -1.018
_refine_ls_extinction_coef       0.0016(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3173
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.112
_refine_ls_R_factor_all          0.0421
_refine_ls_R_factor_gt           0.0330
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0418P)^2^+2.6738P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0820
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                2616
_reflns_number_total             3173
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bq2274.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2228957
_cod_database_fobs_code          2228957