Crystallography Open Database

Information card for entry 7707173

Preview

Coordinates	7707173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H56 Cu12 O28 S12
Calculated formula	C18 H56 Cu12 O28 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	12.4249 ± 0.0007 Å
b	12.5351 ± 0.0009 Å
c	19.7599 ± 0.0009 Å
α	72.31 ± 0.005°
β	82.128 ± 0.004°
γ	60.367 ± 0.007°
Cell volume	2548.2 ± 0.3 Å³
Cell temperature	298.15 K
Ambient diffraction temperature	298.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0337
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
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.	7707173.cif
264435	2021-04-23	cif/ Adding structures of 7707172, 7707173 via cif-deposit CGI script.	7707173.cif