Synthesis, crystal structures and photoluminescent properties of lanthanide supramolecular complexes with 4-oxo-1(4H)-quinolineacetate
Wang, Jun; Fan, Jun; Guo, LiangYu; Yin, Xia; Wang, ZhiHong; Zhang, WeiGuang; Journal of Solid State Chemistry 183 (2010) 575–583; doi:10.1016/j.jssc.2009.12.027

data_1563695
_publ_section_title
;
 Synthesis, crystal structures and photoluminescent properties of
 lanthanide supramolecular complexes with 4-oxo-1(4H)-quinolineacetate
;
_journal_issue                   3
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              575
_journal_page_last               583
_journal_paper_doi               10.1016/j.jssc.2009.12.027
_journal_volume                  183
_journal_year                    2010
_chemical_formula_moiety         'C44 H48 N4 O20 Sm2, 2(C10 H8 N2), 2(Cl O4)'
_chemical_formula_sum            'C64 H64 Cl2 N8 O28 Sm2'
_chemical_formula_weight         1764.83
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                81.0450(12)
_cell_angle_beta                 67.6650(14)
_cell_angle_gamma                87.5420(10)
_cell_formula_units_Z            1
_cell_length_a                   10.9501(9)
_cell_length_b                   12.8332(10)
_cell_length_c                   13.8212(11)
_cell_measurement_reflns_used    7925
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.84
_cell_measurement_theta_min      2.01
_cell_volume                     1774.3(2)
_computing_cell_refinement       'SAINT (Bruker, 2004)'
_computing_data_collection       'APEX-II (Bruker, 2004)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL-XP (Bruker, 2004)'
_computing_publication_material  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 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Bruker Smart Apex II CCD area detector'
_diffrn_measurement_method       '\f and \w scan'
_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  0.0183
_diffrn_reflns_av_sigmaI/netI    0.0345
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            9202
_diffrn_reflns_theta_full        25.25
_diffrn_reflns_theta_max         25.25
_diffrn_reflns_theta_min         2.01
_exptl_absorpt_coefficient_mu    1.803
_exptl_absorpt_correction_T_max  0.7373
_exptl_absorpt_correction_T_min  0.6613
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            light-yellow
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             886
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.18
_refine_diff_density_max         1.327
_refine_diff_density_min         -1.147
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.121
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     506
_refine_ls_number_reflns         6312
_refine_ls_number_restraints     44
_refine_ls_restrained_S_all      1.138
_refine_ls_R_factor_all          0.0355
_refine_ls_R_factor_gt           0.0317
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0540P)^2^+0.3356P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0856
_refine_ls_wR_factor_ref         0.0888
_reflns_number_gt                5796
_reflns_number_total             6312
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2010-183-575.cif
_cod_data_source_block           sm1
_cod_database_code               1563695