Crystallography Open Database

Information card for entry 4113239

Preview

Coordinates	4113239.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1(OTf)4+4.8H2O
Formula	C100 H72 Au4 F12 N4 O16.8 P4 S4
Calculated formula	C100 H72 Au4 F12 N4 O16.8 P4 S4
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	28.242 ± 0.004 Å
b	24.405 ± 0.004 Å
c	10.3082 ± 0.0016 Å
α	90°
β	96.392 ± 0.003°
γ	90°
Cell volume	7060.7 ± 1.9 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.1365
Residual factor for significantly intense reflections	0.0748
Weighted residual factors for significantly intense reflections	0.2187
Weighted residual factors for all reflections included in the refinement	0.2426
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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.	4113239.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113239.cif
65662	2012-09-06	cif/ Adding structures of 4113239 via cif-deposit CGI script.	4113239.cif