<i>catena</i>-Poly[sodium [[tris(3-methylpyridine-2-carboxylato)europate(III)]-μ-3-methylpyridine-2-carboxylato] trihydrate]
Kang, Sung Kwon; Acta Crystallographica Section E 66 (2010) m1092–m1093; doi:10.1107/S160053681003151X

data_2228029
_publ_section_title
;
 <i>catena</i>-Poly[sodium
 [[tris(3-methylpyridine-2-carboxylato)europate(III)]-\m-3-methylpyridine-2-carboxylato]
 trihydrate]
;
_journal_coeditor_code           TK2695
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1092
_journal_page_last               m1093
_journal_paper_doi               10.1107/S160053681003151X
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'Na [Eu (C7 H6 N O2)4], 3H2 O'
_chemical_formula_moiety         'C28 H28 Eu N4 Na O10, H2 O'
_chemical_formula_sum            'C28 H30 Eu N4 Na O11'
_chemical_formula_weight         773.51
_chemical_name_systematic
;
<i>catena</i>-Poly[sodium
[[tris(3-methylpyridine-2-carboxylato)europate(III)]-\m-3-methylpyridine-
2-carboxylato] trihydrate]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 96.585(7)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.721(3)
_cell_length_b                   12.615(4)
_cell_length_c                   21.133(6)
_cell_measurement_reflns_used    3070
_cell_measurement_temperature    233(2)
_cell_measurement_theta_max      20.6
_cell_measurement_theta_min      2.49
_cell_volume                     3104.1(15)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        'SAINT (Bruker, 2002)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2010)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      233(2)
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0882
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25592
_diffrn_reflns_theta_full        25.5
_diffrn_reflns_theta_max         25.5
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    2.099
_exptl_absorpt_correction_T_max  0.741
_exptl_absorpt_correction_T_min  0.583
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.655
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1552
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.766
_refine_diff_density_min         -1.632
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     428
_refine_ls_number_reflns         5782
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.053
_refine_ls_R_factor_gt           0.0454
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+1.5543P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1484
_reflns_number_gt                4104
_reflns_number_total             5782
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            tk2695.cif
_cod_data_source_block           I
_cod_original_cell_volume        3104.1(16)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2228029
_cod_database_fobs_code          2228029