Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared emission consisting of Schiff bases based on π-conjugated scaffolds.
Tanimura, Kazuya; Tanaka, Kento; Gon, Masayuki; Tanaka, Kazuo; Chemical science 15 (2024) 17950–17961; doi:10.1039/d4sc05006a

data_1572865
_publ_section_title
;
 Quadrupolar dinuclear hypervalent tin(iv) compounds with near-infrared
 emission consisting of Schiff bases based on &#x3c0;-conjugated
 scaffolds.
;
_journal_issue                   43
_journal_name_full               'Chemical science'
_journal_page_first              17950
_journal_page_last               17961
_journal_paper_doi               10.1039/d4sc05006a
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C44 H32 N2 O4 Sn2'
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_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2024-07-27 deposited with the CCDC.	2024-10-07 downloaded from the CCDC.
;
_cell_angle_alpha                80.34(2)
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_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.1 b46 (Rigaku, 2016)
;
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
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;
AFC10: Fixed Chi 2 circle
;
_diffrn_measurement_method       'profile data from \w-scans'
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_diffrn_source                   'Rotating Anode'
_exptl_absorpt_coefficient_mu    1.408
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_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            Geeen
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_exptl_crystal_description       Block
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_refine_ls_R_factor_all          0.1365
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_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^)+(0.0573P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1647
_refine_ls_wR_factor_ref         0.1981
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4931
_reflns_number_total             7845
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc05006a2.cif
_cod_data_source_block           TPhNC_a
_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 1572864--1572865.cif.
;
_cod_database_code               1572865
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              94190
_shelx_hkl_checksum              4431