Poly[diaqua(μ~5~-1<i>H</i>-imidazole-4,5-dicarboxylato)(μ~4~-1<i>H</i>-imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]
Zhu, Si-Ming; Acta Crystallographica Section E 68 (2012) m1073–m1074; doi:10.1107/S1600536812031303

data_2235957
_publ_section_title
;
 Poly[diaqua(\m~5~-1<i>H</i>-imidazole-4,5-dicarboxylato)(\m~4~-1<i>H</i>-imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]
;
_journal_coeditor_code           RK2366
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1073
_journal_page_last               m1074
_journal_paper_doi               10.1107/S1600536812031303
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ag3 Yb (C5 H N2 O4)2 (H2 O)2]'
_chemical_formula_moiety         'C10 H6 Ag3 N4 O10 Yb'
_chemical_formula_sum            'C10 H6 Ag3 N4 O10 Yb'
_chemical_formula_weight         838.84
_chemical_name_systematic
;
Poly[diaqua(\m~5~-1<i>H</i>-imidazole-4,5-dicarboxylato)(\m~4~-1<i>H</i>-
imidazole-4,5-dicarboxylato)trisilver(I)ytterbium(III)]
;
_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
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.6860(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.6850(7)
_cell_length_b                   8.6643(5)
_cell_length_c                   28.4015(16)
_cell_measurement_reflns_used    4947
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.08
_cell_measurement_theta_min      2.86
_cell_volume                     3093.5(3)
_computing_cell_refinement       '<i>SAINT</i> (Bruker, 2004)'
_computing_data_collection       '<i>APEX2</i> (Bruker, 2004)'
_computing_data_reduction        '<i>SAINT</i> (Bruker, 2004)'
_computing_molecular_graphics    '<i>SHELXTL</i> (Sheldrick, 2008)'
_computing_publication_material  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_refinement  '<i>SHELXL97</i> (Sheldrick, 2008)'
_computing_structure_solution    '<i>SHELXS97</i> (Sheldrick, 2008)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0259
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            7613
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.45
_exptl_absorpt_coefficient_mu    9.802
_exptl_absorpt_correction_T_max  0.189
_exptl_absorpt_correction_T_min  0.162
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.602
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3080
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.579
_refine_diff_density_min         -1.294
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.185
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     265
_refine_ls_number_reflns         2794
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.185
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0213P)^2^+8.4063P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0537
_refine_ls_wR_factor_ref         0.0546
_reflns_number_gt                2629
_reflns_number_total             2794
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2366.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2235957
_cod_database_fobs_code          2235957