Crystallography Open Database

Information card for entry 4083448

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Coordinates	4083448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C147 H161 Au6 Cl O5 P6
Calculated formula	C147 H156 Au6 Cl O5 P6
SMILES	[Au]123[Au]456([Au]78[Au]914([Au]125[Au]679[P](c2c4Oc5c([P]1(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)cccc5C(c4ccc2)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)[P](c1c2Oc4c([P]8(c5cc(cc(c5)C)C)c5cc(cc(c5)C)C)cccc4C(c2ccc1)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C)[P](c1c2Oc4c([P]3(c3cc(cc(c3)C)C)c3cc(cc(c3)C)C)cccc4C(c2ccc1)(C)C)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C.[Cl-].O=C(C)CC(O)(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	20.1779 ± 0.0004 Å
b	22.5012 ± 0.0004 Å
c	36.3862 ± 0.0007 Å
α	90°
β	93.6617 ± 0.0007°
γ	90°
Cell volume	16486.6 ± 0.5 Å³
Cell temperature	93.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.1663
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.71075 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.	4083448.cif
114894	2014-05-29	cif/ Adding structures of 4083448 via cif-deposit CGI script.	4083448.cif