Crystallography Open Database

Information card for entry 7707172

Preview

Coordinates	7707172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H30 Cu12 O21 S12
Calculated formula	C12 H30 Cu12 O21 S12
Title of publication	Two 6/10-connected Cu<sub>12</sub>S<sub>6</sub> cluster-based organic frameworks: crystal structure and proton conduction.
Authors of publication	Li, Jia-Ming; Xu, Tian-Yang; Zhao, Ya-Li; Hu, Xing-Liang; He, Kun-Huan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	21
Pages of publication	7484 - 7495
a	11.8921 ± 0.0004 Å
b	17.7132 ± 0.0006 Å
c	18.9516 ± 0.0007 Å
α	90°
β	96.951 ± 0.003°
γ	90°
Cell volume	3962.8 ± 0.2 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 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	0.0421
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0746
Weighted residual factors for all reflections included in the refinement	0.0787
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
266108 (current)	2021-06-05	cif/ Updating files of 7707172, 7707173 Original log message: Adding full bibliography for 7707172--7707173.cif.	7707172.cif
264435	2021-04-23	cif/ Adding structures of 7707172, 7707173 via cif-deposit CGI script.	7707172.cif