Crystallography Open Database

Information card for entry 7006099

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Coordinates	7006099.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H44 Au P S
Calculated formula	C27 H22 Au P S
SMILES	[P]([Au]SC#Cc1ccc(cc1)C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis and properties of alkynethiolate gold(i) complexes
Authors of publication	Lardiés, Nora; Romeo, Inocencio; Cerrada, Elena; Laguna, Mariano; Skabara, Peter J.
Journal of publication	Dalton Transactions
Year of publication	2007
Journal issue	45
Pages of publication	5329
a	9.382 ± 0.005 Å
b	11.292 ± 0.005 Å
c	12.643 ± 0.005 Å
α	81.91 ± 0.005°
β	68.73 ± 0.005°
γ	66.01 ± 0.005°
Cell volume	1140.3 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0248
Residual factor for significantly intense reflections	0.0197
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0472
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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