A new synthetic route to the electron-deficient ligand tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide
Nicolas, Emmanuel; Cheisson, Thibault; de Jong, G. Bas; Tazelaar, Cornelis G. J.; Slootweg, J. Chris; Acta Crystallographica Section C 72 (2016) 846–849; doi:10.1107/S2053229616015035

data_2020629
_publ_section_title
;
 A new synthetic route to the electron-deficient ligand
 tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide
;
_journal_coeditor_code           YP3131
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              846
_journal_page_last               849
_journal_paper_doi               10.1107/S2053229616015035
_journal_volume                  72
_journal_year                    2016
_chemical_formula_iupac          'C9 Br9 N6 O P'
_chemical_formula_moiety         'C9 Br9 N6 O P'
_chemical_formula_sum            'C9 Br9 N6 O P'
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_chemical_name_systematic
;
Tris(3,4,5-tribromopyrazol-1-yl)phosphine oxide
;
_space_group_crystal_system      orthorhombic
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_space_group_name_Hall           'P 2c -2n'
_space_group_name_H-M_alt        'P n a 21'
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;
DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)
;
_computing_data_collection
;
COLLECT (Hooft, 1998)
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_computing_data_reduction
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DENZO (Otwinowski & Minor, 1997) and COLLECT (Hooft, 1998)
;
_computing_molecular_graphics
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PLATON (Spek, 2009)
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SHELXL2014 (Sheldrick, 2015)
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SHELXL2014 (Sheldrick, 2015)
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SIR97 (Altomare <i>et al.</i>,  1999)
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;
(DENZO/SCALEPACK; Otwinowski & Minor, 1997)
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Refined as an inversion twin
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0393P)^2^+126.2737P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments          'Adding full bibliography for 2020629.cif.'
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