Intriguing Indium-salen Complexes as Multicolor Luminophores.
Lee, Seon Hee; Shin, Nara; Kwak, Sang Woo; Hyun, Kyunglim; Woo, Won Hee; Lee, Ji Hye; Hwang, Hyonseok; Kim, Min; Lee, Junseong; Kim, Youngjo; Lee, Kang Mun; Park, Myung Hwan; Inorganic chemistry 56 (2017) 2621–2626; doi:10.1021/acs.inorgchem.6b02797

data_4345561
_publ_section_title
;
 Intriguing Indium-salen Complexes as Multicolor Luminophores.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2621
_journal_page_last               2626
_journal_paper_doi               10.1021/acs.inorgchem.6b02797
_journal_volume                  56
_journal_year                    2017
_chemical_formula_moiety         C78H86In2N4O5
_chemical_formula_sum            'C78 H86 In2 N4 O5'
_chemical_formula_weight         1389.14
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 107.547(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   15.8881(10)
_cell_length_b                   28.3612(17)
_cell_length_c                   18.5279(12)
_cell_measurement_reflns_used    14625
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.476
_cell_measurement_theta_min      1.842
_cell_volume                     7960.3(9)
_computing_cell_refinement       'Bruker D8 QUEST'
_computing_data_collection       'Bruker D8 QUEST'
_computing_data_reduction        'Bruker D8 QUEST'
_computing_molecular_graphics    'SHELXL-2014 (Sheldrick, 2014)'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1217
_diffrn_reflns_av_unetI/netI     0.1087
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       34
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            66682
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.476
_diffrn_reflns_theta_min         1.842
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.626
_exptl_absorpt_correction_T_max  0.969
_exptl_absorpt_correction_T_min  0.928
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_description       needle
_exptl_crystal_F_000             2880
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.106
_refine_diff_density_min         -1.677
_refine_diff_density_rms         0.144
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     863
_refine_ls_number_reflns         14625
_refine_ls_number_restraints     64
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.1207
_refine_ls_R_factor_gt           0.0811
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.016
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1500P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2202
_refine_ls_wR_factor_ref         0.2434
_reflns_Friedel_coverage         0.000
_reflns_number_gt                9726
_reflns_number_total             14625
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ic6b02797_si_003.cif
_cod_data_source_block           4_In_Ph
_cod_database_code               4345561
_shelxl_version_number           2013-4
_shelx_res_checksum              33968
_shelx_hkl_checksum              49450