Poly[tetraaquabis(μ~4~-thiophene-2,5-dicarboxylato)(μ~2~-thiophene-2,5-dicarboxylato)dieuropium(III)]
Du, Xi-Gang; Zhang, Jun; Li, Jia-Jia; Acta Crystallographica Section E 68 (2012) m1024–; doi:10.1107/S1600536812029546

data_2235956
_publ_section_title
;
 Poly[tetraaquabis(\m~4~-thiophene-2,5-dicarboxylato)(\m~2~-thiophene-2,5-dicarboxylato)dieuropium(III)]
;
_journal_coeditor_code           RK2364
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1024
_journal_paper_doi               10.1107/S1600536812029546
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Eu2 (C6 H2 O4 S)3 (H2 O)4]'
_chemical_formula_moiety         'C18 H14 Eu2 O16 S3'
_chemical_formula_sum            'C18 H14 Eu2 O16 S3'
_chemical_formula_weight         886.44
_chemical_name_systematic
;
Poly[tetraaquabis(\m~4~-thiophene-2,5-dicarboxylato)(\m~2~-
thiophene-2,5-dicarboxylato)dieuropium(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                 124.136(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.366(8)
_cell_length_b                   5.8326(14)
_cell_length_c                   19.008(6)
_cell_measurement_reflns_used    8572
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      27.49
_cell_measurement_theta_min      2.59
_cell_volume                     2327.7(12)
_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>DIAMOND</i> (Brandenburg, 1999)'
_computing_publication_material
'enCIFer (Allen <i>et al.</i>, 2004) and <i>PLATON</i> (Spek, 2009)'
_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 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker SMART 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  0.0609
_diffrn_reflns_av_sigmaI/netI    0.0867
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            8572
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         2.59
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.693
_exptl_absorpt_correction_T_max  0.535
_exptl_absorpt_correction_T_min  0.445
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 2004)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.530
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1696
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         1.97
_refine_diff_density_min         -1.74
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     180
_refine_ls_number_reflns         2634
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0539
_refine_ls_R_factor_gt           0.0353
_refine_ls_shift/su_max          0.026
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0272P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0904
_reflns_number_gt                2290
_reflns_number_total             2634
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            rk2364.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2235956
_cod_database_fobs_code          2235956