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_4301811
_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         'C20 H4 F24 O8 Sm, C10 H19 N2'
_chemical_formula_sum            'C30 H23 F24 N2 O8 Sm'
_chemical_formula_weight         1145.86
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 90.7880(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.9584(2)
_cell_length_b                   17.8877(2)
_cell_length_c                   17.3453(2)
_cell_measurement_temperature    100(2)
_cell_volume                     4020.19(9)
_computing_cell_refinement       'Bruker SAINT'
_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 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'SMART 6000'
_diffrn_measurement_method       'omega and phi scans'
_diffrn_radiation_monochromator  'crossed Goebel mirrors'
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0618
_diffrn_reflns_av_sigmaI/netI    0.0424
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            40301
_diffrn_reflns_theta_full        71.12
_diffrn_reflns_theta_max         71.12
_diffrn_reflns_theta_min         3.55
_exptl_absorpt_coefficient_mu    12.481
_exptl_absorpt_correction_T_max  0.154
_exptl_absorpt_correction_T_min  0.0923
_exptl_absorpt_correction_type   refdelf
_exptl_absorpt_process_details   'WinGX - Version 1.70.01'
_exptl_crystal_colour            'light yellow'
_exptl_crystal_density_diffrn    1.893
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             2236
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.098
_refine_diff_density_min         -0.932
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     644
_refine_ls_number_reflns         7637
_refine_ls_number_restraints     282
_refine_ls_restrained_S_all      1.121
_refine_ls_R_factor_all          0.0404
_refine_ls_R_factor_gt           0.0358
_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^)+(0.0567P)^2^+5.3884P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0917
_refine_ls_wR_factor_ref         0.0956
_reflns_number_gt                6933
_reflns_number_total             7637
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic8020782_si_004.cif
_cod_data_source_block           wg133
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4301811