Crystallography Open Database

Information card for entry 8104525

Preview

Coordinates	8104525.cif

Structure parameters

Common name	[Au(MBOx)(PPh3)]
Chemical name	[(2-Benzoxazolthiolato)(triphenylphosphine)gold(I)]
Formula	C25 H19 Au N O P S
Calculated formula	C25 H19 Au N O P S
SMILES	[Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)Sc1oc2c(n1)cccc2
Title of publication	Syntheses and structures of two [Au(I)PPh3]-complexes with 2-aceneoxazolethiolates as ligands
Authors of publication	Christoph Partes; Bodach, Alexander; Fink, Lothar
Journal of publication	Zeitschrift für Kristallographie
Year of publication	2016
Journal volume	231
Journal issue	12
Pages of publication	709 - 714
a	13.42872 ± 0.000087 Å
b	10.97719 ± 0.000088 Å
c	9.00771 ± 0.000073 Å
α	80.9303 ± 0.00071°
β	112.011 ± 0.00066°
γ	113.876 ± 0.00065°
Cell volume	1125.67 ± 0.017 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor R(I) for significantly intense reflections	0.01741
Goodness-of-fit parameter for all reflections	1.696
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5406 Å
Diffraction radiation type	CuKα~1~
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
205493 (current)	2018-01-23	cif/ Removing the _chemical_name_mineral data item that contains an empty value from multiple files.	8104525.cif
193997	2017-03-06	cif/ (antanas@echidna.ibt.lt) Removing the '_space_group' data item in entries 1543495, 4510563, 7040827, 7209130, 7220329, 8104524, 8104525 since it was not found in the core CIF dictionary and the same information was already provided in the official space group data items. No information was lost by removing this data item.	8104525.cif
189471	2016-12-28	cif/ Adding structures of 8104525 via cif-deposit CGI script.	8104525.cif