Visible and Near-Infrared Emission by Samarium(III)-Containing Ionic Liquid Mixtures
Kyra Lunstroot; Peter Nockemann; Kristof Van Hecke; Luc Van Meervelt; Christiane Görller-Walrand; Koen Binnemans; Kris Driesen; Inorganic Chemistry 48 (2009) 3018–3026; doi:10.1021/ic8020782

data_4301809
_publ_section_title
;
Visible and Near-Infrared Emission by Samarium(III)-Containing Ionic Liquid
Mixtures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3018
_journal_page_last               3026
_journal_paper_doi               10.1021/ic8020782
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C32 H16 F12 O8 S4 Sm, C10 H19 N2'
_chemical_formula_sum            'C42 H35 F12 N2 O8 S4 Sm'
_chemical_formula_weight         1202.36
_chemical_name_systematic
; 
 ? 
;
_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
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.381(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.468(2)
_cell_length_b                   18.768(3)
_cell_length_c                   20.616(3)
_cell_measurement_temperature    100(2)
_cell_volume                     4784.2(13)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_publication_material  Platon
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full .996
_diffrn_measured_fraction_theta_max .996
_diffrn_measurement_device_type  'SMART 6000'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  'crossed G\"obel mirrors'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0538
_diffrn_reflns_av_sigmaI/netI    0.0608
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            41519
_diffrn_reflns_theta_full        66.59
_diffrn_reflns_theta_max         66.59
_diffrn_reflns_theta_min         3.57
_exptl_absorpt_coefficient_mu    11.741
_exptl_absorpt_correction_T_max  0.310
_exptl_absorpt_correction_T_min  0.023
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.669
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             2396
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         1.045
_refine_diff_density_min         -.937
_refine_diff_density_rms         .125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.856
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     716
_refine_ls_number_reflns         8411
_refine_ls_number_restraints     695
_refine_ls_restrained_S_all      0.856
_refine_ls_R_factor_all          0.1614
_refine_ls_R_factor_gt           0.0909
_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^)+(0.0019P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1745
_refine_ls_wR_factor_ref         0.2035
_reflns_number_gt                3425
_reflns_number_total             8411
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8020782_si_002.cif
_cod_data_source_block           wg90
_cod_original_cell_volume        4784.2(14)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301809