Crystallography Open Database

Information card for entry 4331763

Preview

Coordinates	4331763.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	h03prr6
Formula	C52 H36 Au2 O P2
Calculated formula	C52 H36 Au2 O P2
SMILES	c12c(cccc1c1c(c(ccc1)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1ccccc1)o2)[P](c1ccccc1)(c1ccccc1)[Au]C#Cc1ccccc1
Title of publication	A New Type of Luminescent Alkynyl Au4Cu2Cluster†
Authors of publication	de la Riva, Héctor; Nieuwhuyzen, Mark; Mendicute Fierro, Claudio; Raithby, Paul R.; Male, Louise; Lagunas, M. Cristina
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	4
Pages of publication	1418 - 1420
a	11.5165 ± 0.0001 Å
b	18.0618 ± 0.0002 Å
c	19.6211 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4081.36 ± 0.07 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0402
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331763.cif
97867	2014-01-29	cif/ Adding structures of 4331763 via cif-deposit CGI script.	4331763.cif