Crystallography Open Database

Information card for entry 4115232

Preview

Coordinates	4115232.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UCR-17
Formula	C84.5 H182 Cu5 In30 N13 S54
Calculated formula	Cu4.74 In30.22 S54
Title of publication	Pushing Up the Size Limit of Chalcogenide Supertetrahedral Clusters: Two- and Three-Dimensional Photoluminescent Open Frameworks from (Cu5In30S54)13- Clusters
Authors of publication	Xianhui Bu; Nanfeng Zheng; Yuqi Li; Pingyun Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2002
Journal volume	124
Pages of publication	12646 - 12647
a	43.266 ± 0.006 Å
b	43.467 ± 0.006 Å
c	53.721 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	101030 ± 2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	70
Hermann-Mauguin space group symbol	F d d d :2
Hall space group symbol	-F 2uv 2vw
Residual factor for all reflections	0.1539
Residual factor for significantly intense reflections	0.0735
Weighted residual factors for significantly intense reflections	0.2776
Weighted residual factors for all reflections included in the refinement	0.3123
Goodness-of-fit parameter for all reflections included in the refinement	1.577
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
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.	4115232.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115232.cif
68685	2012-11-20	cif/ Adding structures of 4115232 via cif-deposit CGI script.	4115232.cif