Poly[[chloridodimethanol(μ~3~-pyridine-2,3-dicarboxylato)europium(III)] methanol monosolvate]
Wu, Dayu; Chen, Liyang; Wu, Genhua; Acta Crystallographica Section E 68 (2012) m682–; doi:10.1107/S1600536812017862

data_2234580
_publ_section_title
;
 Poly[[chloridodimethanol(\m~3~-pyridine-2,3-dicarboxylato)europium(III)]
 methanol monosolvate]
;
_journal_coeditor_code           DS2185
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m682
_journal_paper_doi               10.1107/S1600536812017862
_journal_volume                  68
_journal_year                    2012
_chemical_formula_iupac          '[Eu (C7 H3 N O4) Cl (C H4 O)2], C H4 O'
_chemical_formula_moiety         'C9 H11 Cl Eu N O6, C H4 O'
_chemical_formula_sum            'C10 H15 Cl Eu N O7'
_chemical_formula_weight         448.64
_chemical_name_systematic
;
Poly[[chloridodimethanol(\m~3~-pyridine-2,3-dicarboxylato)europium(III)]
methanol monosolvate]
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.694(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.4870(3)
_cell_length_b                   10.9123(3)
_cell_length_c                   12.9248(3)
_cell_measurement_reflns_used    5415
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      29.0918
_cell_measurement_theta_min      2.9711
_cell_volume                     1457.96(7)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXL97 (Sheldrick, 2008) and PLATON (Spek, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega 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  0.0285
_diffrn_reflns_av_sigmaI/netI    0.0325
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            7658
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.98
_exptl_absorpt_coefficient_mu    4.513
_exptl_absorpt_correction_T_max  0.532
_exptl_absorpt_correction_T_min  0.448
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(<i>SADABS</i>; Bruker, 1997)'
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    2.044
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             872
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.14
_refine_diff_density_max         1.344
_refine_diff_density_min         -0.563
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     184
_refine_ls_number_reflns         2550
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.016
_refine_ls_R_factor_all          0.0328
_refine_ls_R_factor_gt           0.0262
_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^)+(0.0287P)^2^+1.5721P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0553
_refine_ls_wR_factor_ref         0.0573
_reflns_number_gt                2260
_reflns_number_total             2550
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            ds2185.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2234580
_cod_database_fobs_code          2234580