Highly Luminescent and Thermally Stable Lanthanide Coordination Polymers Designed from 4-(Dipyridin-2-yl)aminobenzoate: Efficient Energy Transfer from Tb3+ to Eu3+ in a Mixed Lanthanide Coordination Compound
A. R. Ramya; Debajit Sharma; Srinivasan Natarajan; M. L. P. Reddy; Inorganic Chemistry 51 (2012) 8818–8826; doi:10.1021/ic300654e

data_4330032
_publ_section_title
;
 Highly Luminescent and Thermally Stable Lanthanide Coordination Polymers
 Designed from 4-(Dipyridin-2-yl)aminobenzoate: Efficient Energy Transfer
 from Tb3+ to Eu3+ in a Mixed Lanthanide Coordination Compound
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8818
_journal_page_last               8826
_journal_paper_doi               10.1021/ic300654e
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C51 H36 N9 O9 Tb'
_chemical_formula_sum            'C51 H36 N9 O9 Tb'
_chemical_formula_weight         1077.81
_chemical_name_common            'Tb - carboxylate'
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 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                 102.716(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   29.502(3)
_cell_length_b                   15.9006(10)
_cell_length_c                   10.0813(8)
_cell_measurement_reflns_used    4386
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.00
_cell_measurement_theta_min      2.41
_cell_volume                     4613.1(7)
_computing_cell_refinement       'SAINT (Bruker, 2000)'
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'Ortep-3 for Windows (Farrugia, 1999) and CAMERON (Watkin et al., 1993)'
_computing_publication_material  'PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare et al., 1993)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.967
_diffrn_measured_fraction_theta_max 0.967
_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  0.2164
_diffrn_reflns_av_sigmaI/netI    0.1561
_diffrn_reflns_limit_h_max       36
_diffrn_reflns_limit_h_min       -36
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            24471
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.41
_exptl_absorpt_coefficient_mu    1.602
_exptl_absorpt_correction_T_max  0.9687
_exptl_absorpt_correction_T_min  0.8310
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_description       rod
_exptl_crystal_F_000             2168
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.03
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.685
_refine_diff_density_min         -1.170
_refine_diff_density_rms         0.176
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.974
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     319
_refine_ls_number_reflns         4386
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.974
_refine_ls_R_factor_all          0.1070
_refine_ls_R_factor_gt           0.0770
_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^)+(0.0594P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1507
_refine_ls_wR_factor_ref         0.1691
_reflns_number_gt                3154
_reflns_number_total             4386
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic300654e_si_003.cif
_cod_data_source_block           CompoundI
_cod_original_cell_volume        4613.2(6)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4330032