Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane to a thiaphosphirane.
Ishida, Shintaro; Yoshida, Yusuke; Iwamoto, Takeaki; Chemical communications (Cambridge, England) 60 (2024) 8288–8291; doi:10.1039/d4cc02147a

data_7133313
_publ_section_title
;
 Metal-catalyzed valence isomerization of a methylene(thioxo)phosphorane
 to a thiaphosphirane.
;
_journal_issue                   63
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              8288
_journal_page_last               8291
_journal_paper_doi               10.1039/d4cc02147a
_journal_volume                  60
_journal_year                    2024
_chemical_formula_sum            'C36 H48 Cl P Si4'
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_audit_update_record
;
2024-04-02 deposited with the CCDC.	2024-07-11 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_diffrn_measurement_device       'four-circle diffractometer'
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.61a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.235
_exptl_crystal_description       plate
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_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      1.113
_refine_ls_R_factor_all          0.0573
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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^)+(0.0376P)^2^+5.4025P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1226
_refine_ls_wR_factor_ref         0.1255
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7305
_reflns_number_total             8108
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4cc02147a3.cif
_cod_data_source_block           si021a
_cod_depositor_comments
'Adding full bibliography for 7133312--7133316.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7133313
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.940
_shelx_estimated_absorpt_t_max   0.975
_oxdiff_exptl_absorpt_empirical_full_min 0.524
_oxdiff_exptl_absorpt_empirical_full_max 2.250
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_shelx_res_checksum              96856
_shelx_hkl_checksum              83790