Crystallography Open Database

Information card for entry 2242331

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Structure parameters

Chemical name	Acetonyltriphenylphosphonium 2,3,5-triphenyltetrazolium tetrachloridocuprate(II)
Formula	C40 H35 Cl4 Cu N4 O P
Calculated formula	C40 H35 Cl4 Cu N4 O P
SMILES	[Cu](Cl)(Cl)([Cl-])[Cl-].[P+](CC(=O)C)(c1ccccc1)(c1ccccc1)c1ccccc1.n1n([n+](nc1c1ccccc1)c1ccccc1)c1ccccc1
Title of publication	Acetonyltriphenylphosphonium 2,3,5-triphenyltetrazolium tetrachloridocuprate(II)
Authors of publication	Diop, Mouhamadou Birame; Diop, Libasse; Oliver, Allen G.
Journal of publication	Acta Crystallographica Section E
Year of publication	2018
Journal volume	74
Journal issue	1
Pages of publication	69 - 71
a	10.6868 ± 0.0012 Å
b	26.421 ± 0.003 Å
c	13.5628 ± 0.0015 Å
α	90°
β	90.709 ± 0.001°
γ	90°
Cell volume	3829.2 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0512
Residual factor for significantly intense reflections	0.0373
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0964
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
205715 (current)	2018-01-26	cif/ hkl/ Adding structures of 2242331 via cif-deposit CGI script.	2242331.cif 2242331.hkl