Syntheses, Structures, Luminescence, and Magnetic Properties of One-dimensional Lanthanide Coordination Polymers with a Rigid 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand
Baoming Ji; Dongsheng Deng; Xiao He; Bin Liu; Shaobin Miao; Ning Ma; Weizhou Wang; Liguo Ji; Peng Liu; Xianfei Li; Inorganic Chemistry 51 (2012) 2170–2177; doi:10.1021/ic202063h

data_4328321
_publ_contact_author_address
; 
College of Chemistry and Chemical Engineering
Luoyang Normal University
Luoyang 471022
P. R. China 
;
_publ_contact_author_email       dengdongsheng168@sina.com
_publ_contact_author_fax         '086 379 65523821'
_publ_contact_author_name        'Dong-sheng Deng'
_publ_contact_author_phone       '086 379 65523821'
_publ_section_title
;
 Syntheses, Structures, Luminescence, and Magnetic Properties of
 One-dimensional Lanthanide Coordination Polymers with a Rigid
 2,2'-Bipyridine-3,3',6,6'-tetracarboxylic Acid Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2170
_journal_page_last               2177
_journal_paper_doi               10.1021/ic202063h
_journal_volume                  51
_journal_year                    2012
_chemical_formula_sum            'C14 H11 Er N2 O11'
_chemical_formula_weight         550.51
_chemical_name_systematic
;
 ?
;
_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                86.8560(10)
_cell_angle_beta                 86.2240(10)
_cell_angle_gamma                85.8460(10)
_cell_formula_units_Z            2
_cell_length_a                   9.1813(11)
_cell_length_b                   9.2376(11)
_cell_length_c                   9.3885(11)
_cell_measurement_reflns_used    5162
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      0.00
_cell_measurement_theta_min      0.00
_cell_volume                     791.45(16)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  '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  0.0178
_diffrn_reflns_av_sigmaI/netI    0.0259
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            5910
_diffrn_reflns_theta_full        25.49
_diffrn_reflns_theta_max         25.49
_diffrn_reflns_theta_min         3.03
_exptl_absorpt_coefficient_mu    5.374
_exptl_absorpt_correction_T_max  0.3777
_exptl_absorpt_correction_T_min  0.2815
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.310
_exptl_crystal_description       block
_exptl_crystal_F_000             530
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.872
_refine_diff_density_min         -0.758
_refine_diff_density_rms         0.096
_refine_ls_extinction_coef       0.0256(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.020
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     255
_refine_ls_number_reflns         2925
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.020
_refine_ls_R_factor_all          0.0186
_refine_ls_R_factor_gt           0.0177
_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^)+(0.0285P)^2^+0.2774P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0448
_refine_ls_wR_factor_ref         0.0452
_reflns_number_gt                2820
_reflns_number_total             2925
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic202063h_si_008.cif
_cod_data_source_block           a
_cod_database_code               4328321