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_1507923
_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_sum            'C23 H32 N7 Nd O13'
_chemical_formula_weight         758.80
_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                 104.7180(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.8491(3)
_cell_length_b                   17.8130(5)
_cell_length_c                   15.8684(4)
_cell_measurement_reflns_used    2049
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      18.95
_cell_measurement_theta_min      2.64
_cell_volume                     3239.41(15)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_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  0.0644
_diffrn_reflns_av_sigmaI/netI    0.0740
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17007
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    1.672
_exptl_absorpt_correction_T_max  0.7202
_exptl_absorpt_correction_T_min  0.6609
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'pale pink'
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1532
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.952
_refine_diff_density_min         -0.757
_refine_diff_density_rms         0.101
_refine_ls_extinction_coef       0.00007(5)
_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   1.176
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         5864
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.176
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0460
_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^)+(0.0000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0675
_refine_ls_wR_factor_ref         0.0767
_reflns_number_gt                3744
_reflns_number_total             5864
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Nd.cif
_cod_data_source_block           p21c
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1507923