Synthesis, crystal structures and luminescence properties of lanthanide complexes with a tridentate salicylamide-type ligand
Guo, Yuan-Yuan; Lu, Zheng-Dan; Tang, Xiao-Liang; Dou, Wei; Qin, Wen-Wu; Wu, Jiang; Yang, Li-Zi; Zhang, Guo-Lin; Liu, Wei-Sheng; Ru, Jia-Xi; Inorganica Chimica Acta 391 (2012) 182–188; doi:10.1016/j.ica.2012.05.009

data_1507922
_publ_section_title
;
 Synthesis, crystal structures and luminescence properties of lanthanide
 complexes with a tridentate salicylamide-type ligand
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              182
_journal_page_last               188
_journal_paper_doi               10.1016/j.ica.2012.05.009
_journal_volume                  391
_journal_year                    2012
_chemical_formula_moiety         'C21 H29 Gd N6 O13, C2 H3 N'
_chemical_formula_sum            'C23 H32 Gd N7 O13'
_chemical_formula_weight         771.81
_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
_cell_angle_alpha                90.00
_cell_angle_beta                 105.003(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.770(7)
_cell_length_b                   17.687(11)
_cell_length_c                   15.781(10)
_cell_measurement_reflns_used    2898
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.701
_cell_measurement_theta_min      2.663
_cell_volume                     3173(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      298(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0854
_diffrn_reflns_av_sigmaI/netI    0.1092
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            15968
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.76
_exptl_absorpt_coefficient_mu    2.161
_exptl_absorpt_correction_T_max  0.8129
_exptl_absorpt_correction_T_min  0.3340
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            none
_exptl_crystal_density_diffrn    1.616
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.65
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.573
_refine_diff_density_min         -0.995
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_matrix_type           full
_refine_ls_number_parameters     402
_refine_ls_number_reflns         5525
_refine_ls_number_restraints     21
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_gt           0.0501
_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^)+(0.0546P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1069
_refine_ls_wR_factor_ref         0.1483
_reflns_number_gt                3236
_reflns_number_total             5525
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Gd.cif
_cod_data_source_block           060904g
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1507922