<i>catena</i>-Poly[disodium [[tris(formato-κ<i>O</i>)copper(II)]-μ~2~-formato-κ^2^<i>O</i>:<i>O</i>']], with partial substitution of formate by acetate, Na~2<i>n~</i>[Cu(O~2~CH)~4{-~<i>x</i>}(O~2~CCH~3~)~<i>x~</i>]~<i>n~</i> (<i>x</i> = 0.28)
Amalija Golobič; Karmen Klančar; Primož Šegedin; Acta Crystallographica Section E 59 (2003) m165–m167; doi:10.1107/S1600536803005567

data_2202255
_publ_section_title
;<i>catena</i>-Poly[disodium
 [[tris(formato-\k<i>O</i>)copper(II)]-\m~2~-formato-\k^2^<i>O</i>:<i>O</i>']],
 with partial substitution of formate by acetate,
 Na~2<i>n~</i>[Cu(O~2~CH)~4{-~<i>x</i>}(O~2~CCH~3~)~<i>x~</i>]~<i>n~</i>
 (<i>x</i> = 0.28)
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m165
_journal_page_last               m167
_journal_paper_doi               10.1107/S1600536803005567
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          'Na2 [Cu (C H O2)3.72 (C2 H3 O2)0.28]'
_chemical_formula_moiety         '2(Na 1+), C4.28 H4.56 Cu1 O8 2-'
_chemical_formula_sum            'C4.28 H4.56 Cu Na2 O8'
_chemical_formula_weight         293.58
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_cell_angle_alpha                90.00
_cell_angle_beta                 96.993(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   7.0867(4)
_cell_length_b                   9.4514(4)
_cell_length_c                   13.8277(8)
_cell_measurement_reflns_used    2160
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      1.0
_cell_volume                     919.28(8)
_computing_cell_refinement       'DENZO--SMN (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction        DENZO--SMN
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material  Xtal3.6
_computing_structure_refinement  'Xtal3.6 (Hall et al., 1999)'
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full .988
_diffrn_measured_fraction_theta_max .988
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .026
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12602
_diffrn_reflns_theta_full        27.5
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.49
_exptl_absorpt_correction_T_max  0.593
_exptl_absorpt_correction_T_min  0.564
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(DENZO--SMN; Otwinovski & Minor, 1997)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    2.121
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             581.02
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.21
_refine_diff_density_max         .52
_refine_diff_density_min         -.83
_refine_ls_abs_structure_details none
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.26
_refine_ls_goodness_of_fit_ref   1.27
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    8
_refine_ls_number_parameters     156
_refine_ls_number_reflns         2019
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          .029
_refine_ls_R_factor_gt           .026
_refine_ls_shift/su_max          .00
_refine_ls_shift/su_mean         .0001
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
REGINA weighting scheme (Wang & Robertson, 1985)
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         .019
_refine_ls_wR_factor_ref         .018
_reflns_number_gt                1947
_reflns_number_total             2069
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ya6153.cif
_cod_data_source_block           I
_cod_original_sg_symbol_Hall     -p_2ybc
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C4.28 H4.56 Cu1 Na2 O8'
_cod_database_code               2202255
_cod_database_fobs_code          2202255