Three zinc iodide complexes based on phosphane ligands: syntheses, structures, optical properties and TD‒DFT calculations
Chen, Di; Wang, Qiu-Hua; Chai, Wen-Xiang; Song, Li; Acta Crystallographica Section C 74 (2018) –; doi:10.1107/S2053229618002607

data_2021034
_publ_section_title
;
 Three zinc iodide complexes based on phosphane ligands: syntheses,
 structures, optical properties and TD--DFT calculations
;
_journal_coeditor_code           QS3069
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_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first
;
;
_journal_paper_doi               10.1107/S2053229618002607
_journal_volume                  74
_journal_year                    2018
_chemical_formula_iupac          '[Zn I2 (C18 H15 P2)2]'
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_chemical_formula_sum            'C36 H30 I2 P2 Zn'
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_chemical_name_systematic
;
Diiodidobis(triphenylphosphane-\k<i>P</i>)zinc(II)
;
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_Hall  '-P 2ybc'
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Olex2 1.2
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CrysAlis PRO (Agilent, 2011)
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CrysAlis PRO (Agilent, 2011)
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CrysAlis PRO (Agilent, 2011)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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OLEX2 (Dolomanov <i>et al.</i>,  2009)
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SHELXL2014 (Sheldrick, 2015)
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SHELXS97 (Sheldrick, 2008)
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;
(CrysAlis PRO; Agilent, 2011)
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'w=1/[\s^2^(Fo^2^)+(0.0350P)^2^+0.4720P] where P=(Fo^2^+2Fc^2^)/3'
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