<i>catena</i>-Poly[[diaquaterbium(III)]-tetrakis(μ~2~-pyridine-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')-[diaquaterbium(III)]-bis(μ~2~-pyridine-4-carboxylato-κ^2^<i>O</i>:<i>O</i>')]
Zhang, Xiangfei; Zhai, Bin; Acta Crystallographica Section E 67 (2011) m1439–m1440; doi:10.1107/S1600536811038487

data_2231856
_publ_section_title
;
 <i>catena</i>-Poly[[diaquaterbium(III)]-tetrakis(\m~2~-pyridine-4-carboxylato-\k^2^<i>O</i>:<i>O</i>')-[diaquaterbium(III)]-bis(\m~2~-pyridine-4-carboxylato-\k^2^<i>O</i>:<i>O</i>')]
;
_journal_coeditor_code           DN2711
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1439
_journal_page_last               m1440
_journal_paper_doi               10.1107/S1600536811038487
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Tb2 (C6 H4 N O2)6 (H2 O)4]'
_chemical_formula_moiety         'C36 H32 N6 O16 Tb2'
_chemical_formula_sum            'C36 H32 N6 O16 Tb2'
_chemical_formula_weight         1122.52
_chemical_name_systematic
;
<i>catena</i>-Poly[[diaquaterbium(III)]-tetrakis(\m~2~-pyridine-4-
carboxylato-\k^2^<i>O</i>:<i>O</i>')-[diaquaterbium(III)]-bis(\m~2~-
pyridine-4-carboxylato-\k^2^<i>O</i>:<i>O</i>')]
;
_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           'form.cif (version 2.0)'
_cell_angle_alpha                90.00
_cell_angle_beta                 112.0090(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.7008(10)
_cell_length_b                   19.813(2)
_cell_length_c                   11.6253(12)
_cell_measurement_reflns_used    5467
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.36
_cell_measurement_theta_min      2.15
_cell_volume                     2071.6(4)
_computing_cell_refinement       'SAINT (Bruker, 1997)'
_computing_data_collection       'SMART (Bruker, 1997)'
_computing_data_reduction        'SAINT (Bruker, 1997)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \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  0.0255
_diffrn_reflns_av_sigmaI/netI    0.0263
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11208
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.26
_exptl_absorpt_coefficient_mu    3.463
_exptl_absorpt_correction_T_max  0.5745
_exptl_absorpt_correction_T_min  0.4663
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008)'
_exptl_crystal_colour            COLOuRLESS
_exptl_crystal_density_diffrn    1.800
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.780
_refine_diff_density_min         -1.597
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         4055
_refine_ls_number_restraints     148
_refine_ls_restrained_S_all      1.116
_refine_ls_R_factor_all          0.0484
_refine_ls_R_factor_gt           0.0346
_refine_ls_shift/su_max          0.012
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0526P)^2^+5.4200P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0988
_refine_ls_wR_factor_ref         0.1050
_reflns_number_gt                2998
_reflns_number_total             4055
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            dn2711.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2231856
_cod_database_fobs_code          2231856