Di-μ-benzoato-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';κ^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aquabis(benzoato-κ^2^<i>O</i>,<i>O</i>')(dimethylformamide-κ<i>O</i>)europium(III)]
Wang, Zhiliang; Zhou, Xianju; Acta Crystallographica Section E 67 (2011) m1579–m1580; doi:10.1107/S1600536811042735

data_2232488
_publ_section_title
;
 Di-\m-benzoato-\k^3^<i>O</i>,<i>O</i>':<i>O</i>';\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-bis[aquabis(benzoato-\k^2^<i>O</i>,<i>O</i>')(dimethylformamide-\k<i>O</i>)europium(III)]
;
_journal_coeditor_code           VN2018
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1579
_journal_page_last               m1580
_journal_paper_doi               10.1107/S1600536811042735
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Eu2 (C7 H5 O2)6 (C3 H7 N O)2 (H2 O)2]'
_chemical_formula_moiety         'C48 H48 Eu2 N2 O16'
_chemical_formula_sum            'C48 H48 Eu2 N2 O16'
_chemical_formula_weight         1212.80
_chemical_name_systematic
;
Di-\m-benzoato-
\k^3^<i>O</i>,<i>O</i>':<i>O</i>';\k^3^<i>O</i>:<i>O</i>,<i>O</i>'-
bis[aquabis(benzoato-\k^2^<i>O</i>,<i>O</i>')(dimethylformamide-
\k<i>O</i>)europium(III)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 101.460(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.6395(2)
_cell_length_b                   8.36920(10)
_cell_length_c                   25.5235(4)
_cell_measurement_reflns_used    5244
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      67.4874
_cell_measurement_theta_min      3.5309
_cell_volume                     2436.76(7)
_computing_cell_refinement       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_collection       'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_data_reduction        'CrysAlis PRO (Oxford Diffraction, 2010)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1999)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      291(2)
_diffrn_detector_area_resol_mean 15.9149
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Oxford Gemini S Ultra'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Enhance Ultra (Cu) X-ray source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0347
_diffrn_reflns_av_sigmaI/netI    0.0471
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            8782
_diffrn_reflns_theta_full        67.60
_diffrn_reflns_theta_max         67.60
_diffrn_reflns_theta_min         3.53
_exptl_absorpt_coefficient_mu    18.841
_exptl_absorpt_correction_T_max  0.0650
_exptl_absorpt_correction_T_min  0.0562
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(CrysAlis PRO; Oxford Diffraction, 2010)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.32
_refine_diff_density_max         1.198
_refine_diff_density_min         -1.916
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     315
_refine_ls_number_reflns         4294
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.028
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0445
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0781P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1140
_refine_ls_wR_factor_ref         0.1200
_reflns_number_gt                3860
_reflns_number_total             4294
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            vn2018.cif
_cod_data_source_block           I
_cod_original_cell_volume        2436.76(6)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2232488
_cod_database_fobs_code          2232488