Crystallography Open Database

Information card for entry 1520543

1520542 << 1520543 >> 1520544

Preview

Coordinates	1520543.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H20 Au Br F3 P
Calculated formula	C25 H20 Au Br F3 P
SMILES	[Au](Br)C(F)(F)F.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	A hexanuclear gold carbonyl cluster
Authors of publication	Martínez-Salvador, Sonia; Falvello, Larry R.; Martín, Antonio; Menjón, Babil
Journal of publication	Chem. Sci.
Year of publication	2015
Journal volume	6
Journal issue	10
Pages of publication	5506
a	8.3781 ± 0.0002 Å
b	14.3827 ± 0.0002 Å
c	19.3153 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2327.49 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
170928 (current)	2015-12-09	cif/ Updating files of 1520543, 1520544, 1520545 Original log message: Adding full bibliography for 1520543--1520545.cif.	1520543.cif
139238	2015-06-16	cif/ Adding structures of 1520543, 1520544, 1520545 via cif-deposit CGI script.	1520543.cif