Synthesis, crystal structure and luminescence properties of lanthanide complexes with a new semirigid bridging furfurylsalicylamide ligand
Songa, Xue-Qin; Wanga, Li; Zhenga, Qing-Fang; Liu, Wei-Sheng; Inorganica Chimica Acta 391 (2012) 171–178; doi:10.1016/j.ica.2012.04.007

data_1507920
_publ_section_title
;
 Synthesis, crystal structure and luminescence properties of lanthanide
 complexes with a new semirigid bridging furfurylsalicylamide ligand
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              171
_journal_page_last               178
_journal_paper_doi               10.1016/j.ica.2012.04.007
_journal_volume                  391
_journal_year                    2012
_chemical_formula_sum            'C108 H106 N12 O36 Pr2'
_chemical_formula_weight         2429.87
_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
_cell_angle_alpha                69.109(6)
_cell_angle_beta                 89.186(6)
_cell_angle_gamma                89.739(7)
_cell_formula_units_Z            1
_cell_length_a                   11.729(6)
_cell_length_b                   17.716(9)
_cell_length_c                   20.360(10)
_cell_measurement_reflns_used    4896
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.662
_cell_measurement_theta_min      2.308
_cell_volume                     3952(3)
_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      293(2)
_diffrn_measured_fraction_theta_full 0.972
_diffrn_measured_fraction_theta_max 0.972
_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  0.0631
_diffrn_reflns_av_sigmaI/netI    0.1754
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            20017
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.671
_exptl_absorpt_correction_T_max  0.8190
_exptl_absorpt_correction_T_min  0.7478
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.021
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1244
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.31
_platon_squeeze_details
;
;
_refine_diff_density_max         1.332
_refine_diff_density_min         -0.935
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     712
_refine_ls_number_reflns         13537
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.1405
_refine_ls_R_factor_gt           0.0751
_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^)+(0.0304P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1580
_refine_ls_wR_factor_ref         0.1685
_reflns_number_gt                6106
_reflns_number_total             13537
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2012-391-171-178.cif
_cod_data_source_block           060828d
_cod_database_code               1507920