Crystallography Open Database

Information card for entry 1519909

1519908 << 1519909 >> 1519910

Preview

Coordinates	1519909.cif

Structure parameters

Formula	C48 H28 Au2 Cl4 F6 O P2
Calculated formula	C48 H28 Au2 Cl4 F6 O P2
SMILES	[Au]([P](c1c(cccc1)Oc1c(cccc1)[P]([Au]c1c(c(c(c(c1F)Cl)F)Cl)F)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(c(c(c(c1F)Cl)F)Cl)F
Title of publication	C48H28Au2Cl4F6OP2
Authors of publication	James, Stuart L.; Lagunas, M. Cristina; Horton, Peter N.; Hursthouse, Michael B.
Journal of publication	Crystal Structure Report Archive
Year of publication	2008
Pages of publication	598
a	12.7644 ± 0.0002 Å
b	11.9584 ± 0.0002 Å
c	29.2566 ± 0.0005 Å
α	90°
β	98.801 ± 0.001°
γ	90°
Cell volume	4413.2 ± 0.13 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0462
Residual factor for significantly intense reflections	0.0343
Weighted residual factors for significantly intense reflections	0.0854
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1519909.cif
137242	2015-05-22	cif/ Adding structures of 1519909 via cif-deposit CGI script.	1519909.cif