Mechanosynthesis and photophysics of colour-tunable photoluminescent group 13 metal complexes with sterically demanding salen and salophen ligands.
Leon, Felix; Li, Chenfei; Reynes, Javier F.; Singh, Varun K.; Lian, Xiao; Ong, How Chee; Hum, Gavin; Sun, Handong; García, Felipe; Faraday discussions 241 (2023) 63–78; doi:10.1039/d2fd00117a

data_1567404
_publ_section_title
;
 Mechanosynthesis and photophysics of colour-tunable photoluminescent
 group 13 metal complexes with sterically demanding salen and salophen
 ligands.
;
_journal_issue                   0
_journal_name_full               'Faraday discussions'
_journal_page_first              63
_journal_page_last               78
_journal_paper_doi               10.1039/d2fd00117a
_journal_volume                  241
_journal_year                    2023
_chemical_formula_sum            'C80 H116 Cl2 In2 N4 O8 S4'
_chemical_formula_weight         1690.54
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_cell_angle_alpha                90.361(4)
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_cell_length_b                   16.4689(18)
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_cell_measurement_reflns_used    8780
_cell_measurement_temperature    100.(2)
_cell_measurement_theta_max      24.54
_cell_measurement_theta_min      2.24
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_computing_structure_solution    'SHELXT (Bruker AXS Inc., 2018)'
_diffrn_ambient_temperature      100.(2)
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_diffrn_reflns_theta_max         27.95
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_diffrn_source                   'Incoatec microfocus source'
_diffrn_source_type              'Bruker D8 Quest'
_exptl_absorpt_coefficient_mu    0.727
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_exptl_absorpt_correction_T_min  0.86
_exptl_absorpt_process_details
;
;
_exptl_crystal_colour            yellow
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
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_exptl_crystal_size_max          0.220
_exptl_crystal_size_mid          0.080
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_refine_ls_number_reflns         21073
_refine_ls_number_restraints     499
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_refine_ls_R_factor_all          0.1755
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_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+20.6367P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1802
_reflns_number_gt                12789
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_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 1567404.cif.'
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