Awakening of high-energy phosphorescence by enhanced weak interactions for ratiometric detection of trichloromethane vapor
Zhang, Bo-Lun; Song, Wen-Tao; Zhang, Jian-Jun; Chen, Jun; Miao, Lei; Shi, Wen-Jing; Wang, Rui-Hong; Cai, Mengmeng; Ni, Jun; Zhao, Zongbin; Chemical Communications 61 (2025) 8560–8563; doi:10.1039/D5CC01812A

data_7134509
_publ_section_title
;
 Awakening of high-energy phosphorescence by enhanced weak interactions
 for ratiometric detection of trichloromethane vapor
;
_journal_issue                   47
_journal_name_full               'Chemical Communications'
_journal_page_first              8560
_journal_page_last               8563
_journal_paper_doi               10.1039/D5CC01812A
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C34 H28 Bi Cl4 N2 P'
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_space_group_name_Hall           '-P 1'
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_audit_creation_method           SHELXL-2014
_audit_update_record
;
2025-02-20 deposited with the CCDC.	2025-05-07 downloaded from the CCDC.
;
_cell_angle_alpha                104.068(4)
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_cell_volume                     1668.7(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXL-2014 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'CCD area detector'
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_diffrn_radiation_type           MoK\a
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      0
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.20
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_refine_diff_density_max         1.563
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_refine_ls_extinction_coef       0.0830(15)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         7686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.083
_refine_ls_R_factor_all          0.0363
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0492P)^2^+1.0431P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0804
_refine_ls_wR_factor_ref         0.0830
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7050
_reflns_number_total             7686
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc01812a2.cif
_cod_data_source_block           q1
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'multi scan' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 7134509--7134510.cif.
;
_cod_database_code               7134509
_shelxl_version_number           2014-3
_shelx_res_checksum              2241
_shelx_hkl_checksum              29091