Crystallography Open Database

Information card for entry 4085677

Preview

Coordinates	4085677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 Au Cl F P3 Si
Calculated formula	C36 H54 Au Cl F P3 Si
SMILES	[Au]([P](c1c([Si]23F)cccc1)(C(C)C)C(C)C)([P](c1c2cccc1)(C(C)C)C(C)C)[P](c1c3cccc1)(C(C)C)C(C)C.[Cl-]
Title of publication	Coordination of a Triphosphine‒Silane to Gold: Formation of a Trigonal Pyramidal Complex Featuring Au+→Si Interaction
Authors of publication	Gualco, Pauline; Mallet-Ladeira, Sonia; Kameo, Hajime; Nakazawa, Hiroshi; Mercy, Maxime; Maron, Laurent; Amgoune, Abderrahmane; Bourissou, Didier
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	8
Pages of publication	1449
a	11.8818 ± 0.0004 Å
b	11.8818 ± 0.0004 Å
c	49.134 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	6007.3 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178745 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/56.	4085677.cif
138306	2015-06-05	cif/ Updating files of 4085676, 4085677 Original log message: Adding full bibliography for 4085676--4085677.cif.	4085677.cif
135158	2015-04-09	cif/ Adding structures of 4085676, 4085677 via cif-deposit CGI script.	4085677.cif