Crystallography Open Database

Information card for entry 4077146

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Coordinates	4077146.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H38 Au Cl O P2
Calculated formula	C46 H38 Au Cl O P2
SMILES	[Au](C#Cc1ccc(cc1)OC)Cl.C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes
Authors of publication	Vicente, José; Singhal, Anshu R.; Jones, Peter G.
Journal of publication	Organometallics
Year of publication	2002
Journal volume	21
Journal issue	26
Pages of publication	5887
a	17.1531 ± 0.0011 Å
b	15.8402 ± 0.0011 Å
c	15.1264 ± 0.0008 Å
α	90°
β	112.657 ± 0.003°
γ	90°
Cell volume	3792.8 ± 0.4 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0201
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0359
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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