Poly[di-μ-aqua-diaquabis(μ~7~-oxalato-κ^9^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^2'^,<i>O</i>^1'^:<i>O</i>^1'^)calciumdicaesium]
Kherfi, Hamza; Hamadène, Malika; Guehria-Laïdoudi, Achoura; Dahaoui, Slimane; Lecomte, Claude; Acta Crystallographica Section E 69 (2013) m493–m494; doi:10.1107/S1600536813022654

data_2238507
_publ_section_title
;
 Poly[di-\m-aqua-diaquabis(\m~7~-oxalato-\k^9^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^2'^,<i>O</i>^1'^:<i>O</i>^1'^)calciumdicaesium]
;
_journal_coeditor_code           HY2635
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m493
_journal_page_last               m494
_journal_paper_doi               10.1107/S1600536813022654
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Ca Cs2 (C2 O4)2 (H2 O)4]'
_chemical_formula_moiety         'C4 H8 Ca Cs2 O12'
_chemical_formula_sum            'C4 H8 Ca Cs2 O12'
_chemical_formula_weight         554.00
_chemical_name_systematic
Poly[di-\m-aqua-diaquabis(\m~7~-oxalato-\k^9^<i>O</i>^1^:<i>O</i>^1^:<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^2^:<i>O</i>^2'^:<i>O</i>^2'^,<i>O</i>^1'^:<i>O</i>^1'^)calciumdicaesium]
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.000
_cell_angle_beta                 128.3640(10)
_cell_angle_gamma                90.000
_cell_formula_units_Z            4
_cell_length_a                   16.8808(4)
_cell_length_b                   7.3212(2)
_cell_length_c                   13.5268(3)
_cell_measurement_reflns_used    1722
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      32.02
_cell_measurement_theta_min      1.92
_cell_volume                     1310.79(6)
_computing_cell_refinement       'CrysAlis PRO (Agilent, 2012)'
_computing_data_collection       'CrysAlis PRO (Agilent, 2012)'
_computing_data_reduction        'CrysAlis PRO (Agilent, 2012)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'WinGX (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Agilent Xcalibur EOS CCD'
_diffrn_measurement_method       'w scans'
_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  0.0558
_diffrn_reflns_av_sigmaI/netI    0.0255
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            14337
_diffrn_reflns_theta_full        32.01
_diffrn_reflns_theta_max         32.01
_diffrn_reflns_theta_min         3.09
_exptl_absorpt_coefficient_mu    6.009
_exptl_absorpt_correction_T_max  0.382
_exptl_absorpt_correction_T_min  0.229
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Agilent, 2012)'
_exptl_crystal_colour            Pink
_exptl_crystal_density_diffrn    2.807
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prismatic
_exptl_crystal_F_000             1032
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.651
_refine_diff_density_min         -1.137
_refine_ls_extinction_coef       0.0048(4)
_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   1.250
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     104
_refine_ls_number_reflns         2196
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.248
_refine_ls_R_factor_all          0.0250
_refine_ls_R_factor_gt           0.0241
_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/[\s^2^(Fo^2^)+(0.0199P)^2^+5.1138P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0601
_refine_ls_wR_factor_ref         0.0602
_reflns_number_gt                2189
_reflns_number_total             2196
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2635.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2238507
_cod_database_fobs_code          2238507