Reversible Luminescent Vapochromism of a Zero-Dimensional Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.
Wu, Yue; Shi, Cui-Mi; Xu, Liang-Jin; Yang, Ming; Chen, Zhong-Ning; The journal of physical chemistry letters  (2021) 3288–3294; doi:10.1021/acs.jpclett.1c00418

data_1561273
_publ_section_title
;
 Reversible Luminescent Vapochromism of a Zero-Dimensional
 Sb<sup>3+</sup>-Doped Organic-Inorganic Hybrid.
;
_journal_name_full               'The journal of physical chemistry letters'
_journal_page_first              3288
_journal_page_last               3294
_journal_paper_doi               10.1021/acs.jpclett.1c00418
_journal_year                    2021
_chemical_formula_sum            'C16 H40 Cl7 In N4 O0 S4'
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_cell_measurement_temperature    100(2)
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_cell_volume                     3046.3(3)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      100(2)
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_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
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_diffrn_reflns_number            19690
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_diffrn_reflns_point_group_measured_fraction_max 0.981
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.121
_diffrn_reflns_theta_min         3.172
_exptl_absorpt_coefficient_mu    1.680
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.700
_exptl_crystal_description       block
_exptl_crystal_F_000             1584
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_exptl_transmission_factor_min   0.380
_refine_diff_density_max         0.371
_refine_diff_density_min         -0.438
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_refine_ls_extinction_method     none
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_refine_ls_number_reflns         3297
_refine_ls_number_restraints     102
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0115P)^2^+2.6519P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0338
_refine_ls_wR_factor_ref         0.0341
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3229
_reflns_number_total             3297
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jz1c00418_si_003.cif
_cod_data_source_block           undoped
_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/ACS/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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 1561273--1561276.cif.
;
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1561273
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_shelx_estimated_absorpt_t_max   0.633
_shelx_res_checksum              94778
_shelx_hkl_checksum              81116