Synthesis, structures and luminescent property of two lanthanon complexes assembled from 2,3-pyrazinedicarboxylic acid and ammonia
Yanga, Kun; Luoc, Jun-Hua; Liu, Zhi-Hong; Inorganica Chimica Acta 391 (2012) 206–209; doi:10.1016/j.ica.2012.04.040

data_1508116
_publ_section_title
;
 Synthesis, structures and luminescent property of two lanthanon complexes
 assembled from 2,3-pyrazinedicarboxylic acid and ammonia
;
_journal_name_full
;
Inorganica Chimica Acta
;
_journal_page_first              206
_journal_page_last               209
_journal_paper_doi               10.1016/j.ica.2012.04.040
_journal_volume                  391
_journal_year                    2012
_chemical_formula_sum            'C24 H20 N10 O18 Sm2'
_chemical_formula_weight         1037.20
_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                 90.076(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   15.885(9)
_cell_length_b                   14.251(7)
_cell_length_c                   12.884(7)
_cell_measurement_temperature    293(2)
_cell_volume                     2917(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.809
_diffrn_measured_fraction_theta_max 0.809
_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  0.0886
_diffrn_reflns_av_sigmaI/netI    0.1105
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            19288
_diffrn_reflns_theta_full        28.79
_diffrn_reflns_theta_max         28.79
_diffrn_reflns_theta_min         2.49
_exptl_absorpt_coefficient_mu    4.095
_exptl_crystal_density_diffrn    2.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1960
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.08
_refine_diff_density_max         6.613
_refine_diff_density_min         -1.212
_refine_diff_density_rms         0.235
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         6151
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.093
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0294P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1264
_refine_ls_wR_factor_ref         0.1364
_reflns_number_gt                4901
_reflns_number_total             6151
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Sm-r.cif
_cod_data_source_block           c:\yks-sm\p21c
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1508116