Crystal structure of poly[(di-μ2-aqua-κ2 O:O)bis(μ5-oxalato-1:2κ2 O 1; 1κ1 O 2; 3:4:5κ3 O 3; 3κ1 O 4)(μ4-oxalato-1:2κ2 O 1; 2:3κ2 O 2; 3:4κ2 O 3; 4:1κ2 O 4)dizinc(II)disodium(I)]
Zhou, Fang-Xia; Zeitschrift für Kristallographie - New Crystal Structures 231 (2016) 225–226; doi:10.1515/ncrs-2015-0098

data_8106833
_publ_section_title
;
 Crystal structure of poly[(di-\m2-aqua-\k2 O:O)bis(\m5-oxalato-1:2\k2 O
 1; 1\k1 O 2; 3:4:5\k3 O 3; 3\k1 O 4)(\m4-oxalato-1:2\k2 O 1; 2:3\k2 O 2;
 3:4\k2 O 3; 4:1\k2 O 4)dizinc(II)disodium(I)]
;
_journal_issue                   1
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              225
_journal_page_last               226
_journal_paper_doi               10.1515/ncrs-2015-0098
_journal_volume                  231
_journal_year                    2016
_chemical_formula_moiety         'C3 H2 Na O7 Zn'
_chemical_formula_sum            'C3 H2 Na O7 Zn'
_chemical_formula_weight         238.41
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_cell_angle_alpha                90
_cell_angle_beta                 100.343(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.8671(13)
_cell_length_b                   15.661(3)
_cell_length_c                   6.9649(15)
_cell_measurement_reflns_used    547
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      24.51
_cell_measurement_theta_min      2.39
_cell_volume                     629.6(2)
_computing_cell_refinement       'Bruker APEX II'
_computing_data_collection       'Bruker APEX II CCD'
_computing_data_reduction        'Bruker APEX II'
_computing_molecular_graphics    'SHELXL-2013 (Sheldrick, 2013)'
_computing_publication_material  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0789
_diffrn_reflns_av_unetI/netI     0.1138
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       7
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            3797
_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.262
_diffrn_reflns_theta_min         2.601
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.964
_exptl_absorpt_correction_T_max  0.852
_exptl_absorpt_correction_T_min  0.758
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.515
_exptl_crystal_description       prism
_exptl_crystal_F_000             468
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         1.095
_refine_diff_density_min         -0.807
_refine_diff_density_rms         0.172
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     109
_refine_ls_number_reflns         1524
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.1127
_refine_ls_R_factor_gt           0.0488
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0373P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.1040
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                879
_reflns_number_total             1524
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            suppl_ncrs-2015-0098_suppl.cif
_cod_data_source_block           a
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               8106833
_shelx_estimated_absorpt_t_min   0.504
_shelx_estimated_absorpt_t_max   0.826
_shelxl_version_number           2013-4
_shelx_res_checksum              72098
_shelx_hkl_checksum              76087
_publcif_info_exptl_table_max_cols 4
_publcif_info_exptl_table_use_headnotes n