Crystallography Open Database

Information card for entry 4083450

Preview

Coordinates	4083450.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H48 Au Cl O P2
Calculated formula	C47 H48 Au Cl O P2
SMILES	[Au]1(Cl)[P](c2cc(cc(c2)C)C)(c2cc(cc(c2)C)C)c2c3Oc4c([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)cccc4C(c3ccc2)(C)C
Title of publication	Gold(I) Hydride Intermediate in Catalysis: Dehydrogenative Alcohol Silylation Catalyzed by Gold(I) Complex
Authors of publication	Ito, Hajime; Saito, Tomohisa; Miyahara, Takahiro; Zhong, Chongmin; Sawamura, Masaya
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	16
Pages of publication	4829
a	22.885 ± 0.002 Å
b	16.462 ± 0.002 Å
c	23.267 ± 0.003 Å
α	90 ± 0.0004°
β	107.67 ± 0.0005°
γ	90 ± 0.0004°
Cell volume	8351.9 ± 1.7 Å³
Cell temperature	150.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0568
Weighted residual factors for all reflections included in the refinement	0.174
Goodness-of-fit parameter for all reflections included in the refinement	0.847
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4083450.cif
114896	2014-05-29	cif/ Adding structures of 4083450 via cif-deposit CGI script.	4083450.cif