<i>catena</i>-Poly[[[pentaaquaeuropium(III)]-μ-5-sulfonatoisophthalato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^] 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide hemisolvate trihydrate]
Wu, Ai-Zhi; Ng, Seik Weng; Acta Crystallographica Section E 66 (2010) m1433–; doi:10.1107/S1600536810041838

data_2228139
_publ_section_title
;
 <i>catena</i>-Poly[[[pentaaquaeuropium(III)]-\m-5-sulfonatoisophthalato-\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]
 4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide hemisolvate trihydrate]
;
_journal_coeditor_code           XU5055
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1433
_journal_paper_doi               10.1107/S1600536810041838
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac
'[Eu (C8 H3 O7 S) (H2 O)5] , 0.5C10 H8 N2 O2, 3H2 O'
_chemical_formula_moiety         'C8 H13 Eu O12 S, 0.5(C10 H8 N2 O2), 3(H2 O)'
_chemical_formula_sum            'C13 H23 Eu N O16 S'
_chemical_formula_weight         633.34
_chemical_name_systematic
;
<i>catena</i>-Poly[[[pentaaquaeuropium(III)]\-m-5-sulfonatoisophthalato-
\k^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^]
4,4'-bipyridine <i>N</i>,<i>N</i>'-dioxide hemisolvate trihydrate]
;
_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                89.383(2)
_cell_angle_beta                 62.9890(10)
_cell_angle_gamma                62.678(6)
_cell_formula_units_Z            2
_cell_length_a                   10.7800(4)
_cell_length_b                   10.8978(3)
_cell_length_c                   11.4048(3)
_cell_measurement_reflns_used    9807
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.5
_cell_volume                     1026.90(9)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       '\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  0.0326
_diffrn_reflns_av_sigmaI/netI    0.0404
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10108
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_diffrn_reflns_theta_min         3.54
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.240
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6311
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.048
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             630
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         3.396
_refine_diff_density_min         -1.127
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.199
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         4658
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.199
_refine_ls_R_factor_all          0.0330
_refine_ls_R_factor_gt           0.0316
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0569P)^2^+0.4859P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0782
_refine_ls_wR_factor_ref         0.0914
_reflns_number_gt                4509
_reflns_number_total             4658
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            xu5055.cif
_cod_data_source_block           I
_cod_database_code               2228139
_cod_database_fobs_code          2228139