Crystallography Open Database

Information card for entry 1520544

1520543 << 1520544 >> 1520545

Preview

Coordinates	1520544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H22 Au2 Br Cl2 F6 P
Calculated formula	C27 H22 Au2 Br Cl2 F6 P
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	11.2208 ± 0.0016 Å
b	16.168 ± 0.003 Å
c	17.031 ± 0.003 Å
α	90°
β	108.049 ± 0.019°
γ	90°
Cell volume	2937.7 ± 0.9 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1135
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.2471
Weighted residual factors for all reflections included in the refinement	0.2633
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1520544.cif
139238	2015-06-16	cif/ Adding structures of 1520543, 1520544, 1520545 via cif-deposit CGI script.	1520544.cif