Crystallography Open Database

Information card for entry 4116573

Preview

Coordinates	4116573.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9
Calculated formula	C125.5 H78 Au2 Cl2 F18 N6 Na O2 P9
Title of publication	Synthesis and Characterization of Trigonal Gold(I) Cage Complexes: Luminescent Metallocryptates Encapsulating Tl(I) and Na+ Ions
Authors of publication	Vincent J. Catalano; Byron L. Bennett; Heidi M. Kar; Bruce C. Noll
Journal of publication	Journal of the American Chemical Society
Year of publication	1999
Journal volume	121
Pages of publication	10235 - 10236
a	18.4038 ± 0.0018 Å
b	24.336 ± 0.003 Å
c	27.089 ± 0.002 Å
α	90°
β	101.394 ± 0.006°
γ	90°
Cell volume	11893 ± 2 Å³
Cell temperature	138 ± 2 K
Ambient diffraction temperature	138 ± 2 K
Number of distinct elements	9
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	0.0974
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1349
Weighted residual factors for all reflections included in the refinement	0.152
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	4116573.cif
72699	2013-01-26	cif/ Adding structures of 4116573 via cif-deposit CGI script.	4116573.cif