Bis[μ-4-(1<i>H</i>-imidazol-3-ium-1-yl)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[(methanol)tris(nitrato-κ^2^<i>O</i>,<i>O</i>')terbium(III)]
Jung, Yeong-Min; Lee, Soon W.; Acta Crystallographica Section E 67 (2011) m253–m254; doi:10.1107/S1600536811002443

data_2229051
_publ_section_title
;
 Bis[\m-4-(1<i>H</i>-imidazol-3-ium-1-yl)benzoato-\k^2^<i>O</i>:<i>O</i>']bis[(methanol)tris(nitrato-\k^2^<i>O</i>,<i>O</i>')terbium(III)]
;
_journal_coeditor_code           GK2337
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m253
_journal_page_last               m254
_journal_paper_doi               10.1107/S1600536811002443
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Tb2 (N O3)6 (C10 H8 N2 O2)2 (C H4 O)2]'
_chemical_formula_moiety         'C22 H24 N10 O24 Tb2'
_chemical_formula_sum            'C22 H24 N10 O24 Tb2'
_chemical_formula_weight         1130.35
_chemical_name_systematic
;
Bis[\m-4-(1<i>H</i>-imidazol-3-ium-1-yl)benzoato-
\k^2^<i>O</i>:<i>O</i>']bis[(methanol)tris(nitrato-
\k^2^<i>O</i>,<i>O</i>')terbium(III)]
;
_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                95.328(2)
_cell_angle_beta                 101.271(2)
_cell_angle_gamma                100.166(2)
_cell_formula_units_Z            1
_cell_length_a                   8.2966(3)
_cell_length_b                   9.6107(3)
_cell_length_c                   11.6780(4)
_cell_measurement_reflns_used    9939
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.47
_cell_measurement_theta_min      2.66
_cell_volume                     891.01(5)
_computing_cell_refinement       'SMART (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXTL (Sheldrick, 2008)'
_computing_structure_solution    'SHELXTL (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0368
_diffrn_reflns_av_sigmaI/netI    0.0304
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14627
_diffrn_reflns_theta_full        28.51
_diffrn_reflns_theta_max         28.51
_diffrn_reflns_theta_min         2.17
_exptl_absorpt_coefficient_mu    4.045
_exptl_absorpt_correction_T_max  0.4984
_exptl_absorpt_correction_T_min  0.3576
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.107
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.013
_refine_diff_density_min         -0.493
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.043
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     266
_refine_ls_number_reflns         4356
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0313
_refine_ls_R_factor_gt           0.0263
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0361P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0590
_refine_ls_wR_factor_ref         0.0608
_reflns_number_gt                3924
_reflns_number_total             4356
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            gk2337.cif
_cod_data_source_block           I
_cod_database_code               2229051
_cod_database_fobs_code          2229051