Crystallography Open Database

Information card for entry 7055522

Preview

Coordinates	7055522.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H10 Cu N4 S2
Calculated formula	C11 H10 Cu N4 S2
Title of publication	Three cation-templated Cu(i) self-assemblies: synthesis, structures, and photocatalytic properties
Authors of publication	Xu, Man-Man; Li, Yao; Zheng, Lin-Jie; Niu, Yun-Yin; Hou, Hong-Wei
Journal of publication	New J. Chem.
Year of publication	2016
Journal volume	40
Journal issue	7
Pages of publication	6086
a	10.8207 ± 0.0006 Å
b	12.6826 ± 0.0006 Å
c	9.658 ± 0.0005 Å
α	90°
β	108.391 ± 0.006°
γ	90°
Cell volume	1257.72 ± 0.12 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
185573 (current)	2016-08-07	cif/ Updating files of 7055521, 7055522 Original log message: Adding full bibliography for 7055521--7055522.cif.	7055522.cif
182395	2016-04-29	cif/ Adding structures of 7055521, 7055522 via cif-deposit CGI script.	7055522.cif