Poly[(acetato-κ^2^<i>O</i>,<i>O</i>')aqua(μ~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)cerium(III)]
Chen, Jinhua; Wang, Yuezhu; Zheng, Chun; Luo, Yifan; Acta Crystallographica Section E 68 (2012) m673–; doi:10.1107/S1600536812017503

data_2234716
_publ_section_title
;
 Poly[(acetato-\k^2^<i>O</i>,<i>O</i>')aqua(\m~4~-1<i>H</i>-benzimidazole-5,6-dicarboxylato-\k^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:<i>O</i>^6'^)cerium(III)]
;
_journal_coeditor_code           LH5440
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m673
_journal_paper_doi               10.1107/S1600536812017503
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Ce (C9 H4 N2 O4) (C2 H3 O2) (H2 O)]'
_chemical_formula_moiety         'C11 H9 Ce N2 O7'
_chemical_formula_sum            'C11 H9 Ce N2 O7'
_chemical_formula_weight         421.32
_chemical_name_systematic
;
Poly[(acetato-\k^2^<i>O</i>,<i>O</i>')aqua(\m~4~-1<i>H</i>-benzimidazole-5,6-
dicarboxylato-
\k^6^<i>N</i>^3^:<i>O</i>^5^,<i>O</i>^5'^:<i>O</i>^5^,<i>O</i>^6^:
<i>O</i>^6'^)cerium(III)]
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                86.895(2)
_cell_angle_beta                 86.510(2)
_cell_angle_gamma                84.707(2)
_cell_formula_units_Z            2
_cell_length_a                   7.4577(15)
_cell_length_b                   9.0399(19)
_cell_length_c                   9.792(2)
_cell_measurement_reflns_used    2613
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.24
_cell_measurement_theta_min      2.09
_cell_volume                     655.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 1997)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \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  0.0160
_diffrn_reflns_av_sigmaI/netI    0.0311
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3390
_diffrn_reflns_theta_full        25.24
_diffrn_reflns_theta_max         25.24
_diffrn_reflns_theta_min         2.09
_exptl_absorpt_coefficient_mu    3.509
_exptl_absorpt_correction_T_max  0.680
_exptl_absorpt_correction_T_min  0.584
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2005)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.135
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             406
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.740
_refine_diff_density_min         -0.586
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.052
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     203
_refine_ls_number_reflns         2321
_refine_ls_number_restraints     130
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0243
_refine_ls_R_factor_gt           0.0228
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0217P)^2^+1.2938P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0532
_refine_ls_wR_factor_ref         0.0540
_reflns_number_gt                2194
_reflns_number_total             2366
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            lh5440.cif
_cod_data_source_block           I
_cod_database_code               2234716
_cod_database_fobs_code          2234716