Poly[bis(μ~4~-acetato-κ^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis(μ~3~-acetato-κ^3^<i>O</i>:<i>O</i>:<i>O</i>)(μ~2~-acetato-κ^2^<i>O</i>:<i>O</i>')(μ~2~-acetic acid-κ^2^<i>O</i>:<i>O</i>')di-μ-aquacopper(II)trisodium]
Jiang, Xiang-Yu; Yue, Xi-Gui; Acta Crystallographica Section E 66 (2010) m1244–; doi:10.1107/S1600536810035683

data_2227627
_publ_section_title
;
 Poly[bis(\m~4~-acetato-\k^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis(\m~3~-acetato-\k^3^<i>O</i>:<i>O</i>:<i>O</i>)(\m~2~-acetato-\k^2^<i>O</i>:<i>O</i>')(\m~2~-acetic
 acid-\k^2^<i>O</i>:<i>O</i>')di-\m-aquacopper(II)trisodium]
;
_journal_coeditor_code           HY2345
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1244
_journal_paper_doi               10.1107/S1600536810035683
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cu Na3 (C2 H3 O2)5 (C2 H4 O2) (H2 O)2]'
_chemical_formula_moiety         'C12 H23 Cu Na3 O14'
_chemical_formula_sum            'C12 H23 Cu Na3 O14'
_chemical_formula_weight         523.81
_chemical_name_systematic
;
Poly[bis(\m~4~-acetato-\k^4^<i>O</i>:<i>O</i>:<i>O</i>':<i>O</i>')bis(\m~3~-
acetato-\k^3^<i>O</i>:<i>O</i>:<i>O</i>)(\m~2~-acetato-
\k^2^<i>O</i>:<i>O</i>')(\m~2~-acetic
acid-\k^2^<i>O</i>:<i>O</i>')di-\m-aquacopper(II)trisodium]
;
_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                90.00
_cell_angle_beta                 103.426(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.571(6)
_cell_length_b                   6.768(3)
_cell_length_c                   22.653(10)
_cell_measurement_reflns_used    8924
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      3.04
_cell_volume                     2172.9(16)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics
'PLATON (Spek, 2009) and DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      290(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotaton anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0226
_diffrn_reflns_av_sigmaI/netI    0.0185
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            10214
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.129
_exptl_absorpt_correction_T_max  0.7772
_exptl_absorpt_correction_T_min  0.7517
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.601
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.303
_refine_diff_density_min         -0.322
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     142
_refine_ls_number_reflns         2493
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0279
_refine_ls_R_factor_gt           0.0234
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0390P)^2^+1.7139P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0662
_refine_ls_wR_factor_ref         0.0684
_reflns_number_gt                2192
_reflns_number_total             2493
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2345.cif
_cod_data_source_block           I
_cod_original_cell_volume        2173.0(16)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2227627
_cod_database_fobs_code          2227627