Crystallography Open Database

Information card for entry 7017925

Preview

Coordinates	7017925.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 Au2 Cl2 N3 P S
Calculated formula	C21 H20 Au2 Cl2 N3 P S
Title of publication	Aurophilicity in gold(I) thiosemicarbazone clusters.
Authors of publication	Castiñeiras, Alfonso; Pedrido, Rosa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	4
Pages of publication	1363 - 1372
a	9.1233 ± 0.0008 Å
b	10.3094 ± 0.0008 Å
c	13.3409 ± 0.0011 Å
α	100.296 ± 0.004°
β	105.008 ± 0.004°
γ	96.479 ± 0.004°
Cell volume	1175.64 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 for all reflections	0.0354
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0581
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179883 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/79.	7017925.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017925.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017925.cif
33462	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017922, 7017923, 7017924, 7017925 via cif-deposit CGI script.	7017925.cif