Poly[tetraaqua(5-hydroxypyridin-1-ium-3-carboxylato-κ<i>O</i>^3^)tris(μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(III)]
Xu, Shan-Shan; Mi, Jun-Long; Chen, Hong-Ji; Acta Crystallographica Section E 69 (2013) m294–m295; doi:10.1107/S1600536813011057

data_2237886
_publ_section_title
;
 Poly[tetraaqua(5-hydroxypyridin-1-ium-3-carboxylato-\k<i>O</i>^3^)tris(\m-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(III)]
;
_journal_coeditor_code           HY2623
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m294
_journal_page_last               m295
_journal_paper_doi               10.1107/S1600536813011057
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Eu2 (C6 H5 N O3)2 (C2 O4)3 (H2 O)4]'
_chemical_formula_moiety         'C18 H18 Eu2 N2 O22'
_chemical_formula_sum            'C18 H18 Eu2 N2 O22'
_chemical_formula_weight         918.26
_chemical_name_systematic
Poly[tetraaqua(5-hydroxypyridin-1-ium-3-carboxylato-\k<i>O</i>^3^)tris(\m-oxalato-\k^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^)dieuropium(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                103.493(3)
_cell_angle_beta                 98.589(3)
_cell_angle_gamma                92.240(3)
_cell_formula_units_Z            1
_cell_length_a                   7.5912(2)
_cell_length_b                   8.0973(3)
_cell_length_c                   10.6706(3)
_cell_measurement_reflns_used    3135
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      29.40
_cell_measurement_theta_min      2.59
_cell_volume                     628.78(4)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_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  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0334
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12455
_diffrn_reflns_theta_full        29.47
_diffrn_reflns_theta_max         29.47
_diffrn_reflns_theta_min         2.59
_exptl_absorpt_coefficient_mu    5.053
_exptl_absorpt_correction_T_max  0.6880
_exptl_absorpt_correction_T_min  0.3768
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.425
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             442
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.552
_refine_diff_density_min         -0.537
_refine_ls_extinction_coef       0.0094(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.085
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     221
_refine_ls_number_reflns         3135
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.085
_refine_ls_R_factor_all          0.0209
_refine_ls_R_factor_gt           0.0183
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0087P)^2^+0.3669P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0366
_refine_ls_wR_factor_ref         0.0378
_reflns_number_gt                2965
_reflns_number_total             3135
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2623.cif
_cod_data_source_block           I
_cod_original_cell_volume        628.78(3)
_cod_database_code               2237886
_cod_database_fobs_code          2237886