Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl pnictines.
Egalahewa, Sathsara; Aprile, Antonino; Dutton, Jason L.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 7507–7513; doi:10.1039/d0dt00777c

data_7704472
_publ_section_title
;
 Reactions of PhIX<sub>2</sub> I(iii) oxidants with heavy triphenyl
 pnictines.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              7507
_journal_page_last               7513
_journal_paper_doi               10.1039/d0dt00777c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C39 H30 As2 F3 N O3 S'
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_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
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_audit_creation_method           SHELXL-97
_audit_update_record
;
2020-02-24 deposited with the CCDC.	2020-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
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_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    SHELXP
_computing_publication_material  SHELXP
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Xcalibur, Atlas, Gemini'
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_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       -48
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -2
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'CrysAlisPro, Agilent Technologies'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.489
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1616
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_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
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_refine_ls_R_factor_gt           0.0935
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1734P)^2^+30.5357P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2843
_refine_ls_wR_factor_ref         0.2913
_reflns_number_gt                10568
_reflns_number_total             11354
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            d0dt00777c2.cif
_cod_data_source_block           7
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' 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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7704471--7704473.cif.
;
_cod_original_cell_volume        3566.9(12)
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7704472