Highly emissive 4-carbazole–appended salen–indium complex: the effect of strong donor–acceptor interaction
Kim, Yoseph; Kim, Jaehoon; Lee, Ji Hye; Moon, Hyung kwon; Noh, Gae Hee; Hwang, Hyonseok; Lee, Junseong; Park, Jun Hui; Kim, Youngjo; Park, Myung Hwan; Dalton Transactions  (2023) –; doi:10.1039/D3DT02129G

data_7713854
_publ_section_title
;
 Highly emissive 4-carbazole--appended salen--indium complex: the effect
 of strong donor--acceptor interaction
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D3DT02129G
_journal_year                    2023
_chemical_formula_moiety         'C28 H42 O3 '
_chemical_formula_sum            'C28 H42 O3'
_chemical_formula_weight         426.64
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             'Sat Sep 13 14:31:15 2003'
_audit_creation_method           'by teXsan'
_audit_update_record
;
2003-10-11 deposited with the CCDC.	2023-09-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.2790(7)
_cell_length_b                   10.3610(8)
_cell_length_c                   25.022(1)
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.9
_cell_volume                     2664.9(3)
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SIR92
_diffrn_measured_fraction_theta_full 0.9866
_diffrn_measured_fraction_theta_max 0.9866
_diffrn_measurement_device_type  'MacScience DIP2030 Imaging Plate'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            3567
_diffrn_reflns_theta_full        27.88
_diffrn_reflns_theta_max         27.88
_exptl_absorpt_coefficient_mu    0.067
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.066
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.500
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.12
_refine_diff_density_min         -0.16
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.612
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     280
_refine_ls_number_reflns         2209
_refine_ls_R_factor_gt           0.0658
_refine_ls_shift/su_max          0.0106
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00540|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1297
_reflns_number_gt                2209
_reflns_number_total             3543
_reflns_threshold_expression     F^2^>3.0\s(F^2^)
_cod_data_source_file            d3dt02129g2.cif
_cod_data_source_block           4-tBucyclohexanone-Darzens
_cod_original_sg_symbol_H-M      'P 21 21 21   '
_cod_original_formula_sum        'C28 H42 O3 '
_cod_database_code               7713854