Crystallography Open Database

Information card for entry 4109637

Preview

Coordinates	4109637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98.67 H99.33 Cd8 S15
Calculated formula	C98.6667 H99.3333 Cd8 S15
Title of publication	Chiral Semiconductor Frameworks from Cadmium Sulfide Clusters
Authors of publication	Qichun Zhang; Xianhui Bu; Jian Zhang; Tao Wu; Pingyun Feng
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	8412 - 8413
a	34.1978 ± 0.0003 Å
b	34.1978 ± 0.0003 Å
c	45.9516 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	46540.1 ± 0.8 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	4
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0444
Weighted residual factors for significantly intense reflections	0.0987
Weighted residual factors for all reflections included in the refinement	0.1212
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
178842 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/96.	4109637.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109637.cif
58414	2012-05-28	cif/ Adding structures of 4109637 via cif-deposit CGI script.	4109637.cif