Crystallography Open Database

Information card for entry 4115231

Preview

Coordinates	4115231.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	UCR-16
Formula	C84.5 H182 Cu5 In30 N13 S54
Calculated formula	C2 Cu5.26 In29.74 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	27.615 ± 0.009 Å
b	27.648 ± 0.009 Å
c	28.548 ± 0.009 Å
α	90°
β	112.761 ± 0.006°
γ	90°
Cell volume	20099 ± 11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2302
Residual factor for significantly intense reflections	0.0944
Weighted residual factors for significantly intense reflections	0.2944
Weighted residual factors for all reflections included in the refinement	0.3506
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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.	4115231.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4115231.cif
68684	2012-11-20	cif/ Adding structures of 4115231 via cif-deposit CGI script.	4115231.cif