Neutral mononuclear indium(III) photosensitizers for CO<sub>2</sub> photoreduction.
Zhang, Zaichao; Fu, Li-Zhi; He, Piao; Yi, Xiao-Yi; Dalton transactions (Cambridge, England : 2003) 53 (2024) 17772–17776; doi:10.1039/d4dt02595d

data_7717259
_publ_section_title
;
 Neutral mononuclear indium(III) photosensitizers for CO<sub>2</sub>
 photoreduction.
;
_journal_issue                   44
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              17772
_journal_page_last               17776
_journal_paper_doi               10.1039/d4dt02595d
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C27 H19 In N6, C H2 Cl2'
_chemical_formula_sum            'C28 H21 Cl2 In N6'
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_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2024-08-06 deposited with the CCDC.	2024-10-17 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_cell_measurement_theta_min      2.55
_cell_volume                     2684.8(3)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'APEX2 CCD detector'
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_diffrn_reflns_av_unetI/netI     0.0577
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
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_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.4968
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Bruker, 2014)'
_exptl_crystal_density_diffrn    1.552
_exptl_crystal_description       block
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.985
_refine_ls_R_factor_all          0.0827
_refine_ls_R_factor_gt           0.0339
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0083P)^2^+0.0446P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0384
_refine_ls_wR_factor_ref         0.0429
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3207
_reflns_number_total             5863
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt02595d2.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7717259--7717260.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7717259
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.725
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_shelx_res_checksum              33275
_shelx_hkl_checksum              89946