Crystallography Open Database

Information card for entry 4113235

Preview

Coordinates	4113235.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Au2(PAnP)(NO3)2+0.5Et2O
Formula	C40 H33 Au2 N2 O6.5 P2
Calculated formula	C40 H33 Au2 N2 O6.5 P2
Title of publication	Self-Assembly and Molecular Recognition of a Luminescent Gold Rectangle
Authors of publication	Ronger Lin; John H. K. Yip; Ke Zhang; Lip Lin Koh; Kwok-Yin Wong; Kam Piu Ho
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	15852 - 15869
a	21.247 ± 0.003 Å
b	18.09 ± 0.002 Å
c	20.065 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7712.1 ± 1.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1215
Weighted residual factors for all reflections included in the refinement	0.1323
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4113235.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113235.cif
65658	2012-09-06	cif/ Adding structures of 4113235 via cif-deposit CGI script.	4113235.cif