Crystallography Open Database

Information card for entry 7017924

Preview

Coordinates	7017924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 Au3 Cl3 N6 O4 P2 S2
Calculated formula	C44 H52 Au3 Cl3 N6 O4 P2 S2
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	10.769 ± 0.003 Å
b	10.466 ± 0.002 Å
c	23.213 ± 0.005 Å
α	90°
β	92.877 ± 0.004°
γ	90°
Cell volume	2613 ± 1 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	8
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	0.0988
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1401
Weighted residual factors for all reflections included in the refinement	0.1597
Goodness-of-fit parameter for all reflections included in the refinement	1.081
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.	7017924.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7017924.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7017924.cif
33462	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7017922, 7017923, 7017924, 7017925 via cif-deposit CGI script.	7017924.cif