<i>catena</i>-Poly[[[triaquaeuropium(III)]-μ-(1<i>H</i>-benzimidazole-5,6-dicarboxylato-κ^2^<i>O</i>^5^:<i>O</i>^6^)-μ-(1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-κ^3^<i>O</i>^5^:<i>O</i>^6^,<i>O</i>^6'^)] dihydrate]
Chen, Xiao-Ye; Huo, Shu-Min; Lin, Jing-Jun; Cai, Xia; Zeng, Rong-Hua; Acta Crystallographica Section E 67 (2011) m1294–m1295; doi:10.1107/S1600536811033496

data_2231550
_publ_section_title
;
 <i>catena</i>-Poly[[[triaquaeuropium(III)]-\m-(1<i>H</i>-benzimidazole-5,6-dicarboxylato-\k^2^<i>O</i>^5^:<i>O</i>^6^)-\m-(1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-\k^3^<i>O</i>^5^:<i>O</i>^6^,<i>O</i>^6'^)]
 dihydrate]
;
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1294
_journal_page_last               m1295
_journal_paper_doi               10.1107/S1600536811033496
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac
'[Eu (C9 H4 N2 O4) (C9 H5 N2 O4) (H2 O)3], 2H2 O'
_chemical_formula_moiety         'C18 H15 Eu N4 O11, 2(H2 O)'
_chemical_formula_sum            'C18 H19 Eu N4 O13'
_chemical_formula_weight         651.33
_chemical_name_systematic
;
<i>catena</i>-Poly[[[triaquaeuropium(III)]-\m-(1<i>H</i>-
benzimidazole-5,6-dicarboxylato-\k^2^<i>O</i>^5^:<i>O</i>^6^)-\m-
(1<i>H</i>,3<i>H</i>-benzimidazol-3-ium-5,6-dicarboxylato-
\k^3^<i>O</i>^5^:<i>O</i>^6^,<i>O</i>^6'^)] dihydrate]
;
_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                112.1120(10)
_cell_angle_beta                 91.6140(10)
_cell_angle_gamma                104.4530(10)
_cell_formula_units_Z            2
_cell_length_a                   8.4530(4)
_cell_length_b                   10.9757(6)
_cell_length_c                   12.7124(7)
_cell_measurement_reflns_used    3764
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.2
_cell_measurement_theta_min      2.78
_cell_volume                     1048.25(10)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics
'ORTEPIII (Burnett & Johnson, 1996) and PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Bruker APEXII CCD'
_diffrn_measurement_method       '\f and \w'
_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  0.0162
_diffrn_reflns_av_sigmaI/netI    0.0314
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            5435
_diffrn_reflns_theta_full        25.20
_diffrn_reflns_theta_max         25.20
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    3.076
_exptl_absorpt_correction_T_max  0.5783
_exptl_absorpt_correction_T_min  0.5256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.064
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             644
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.630
_refine_diff_density_min         -0.671
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         3711
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0263
_refine_ls_R_factor_gt           0.0238
_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^)+(0.0269P)^2^+1.5288P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0560
_refine_ls_wR_factor_ref         0.0573
_reflns_number_gt                3454
_reflns_number_total             3711
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hy2459.cif
_cod_data_source_block           I
_cod_database_code               2231550
_cod_database_fobs_code          2231550