Crystallography Open Database

Information card for entry 7707928

Preview

Coordinates	7707928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H18 Ba3 N20 O10
Calculated formula	C14 H18 Ba3 N20 O10
Title of publication	Ba-MOFs with tetrazole-based acetic acids: unusual configuration, novel topology and high proton conductivity.
Authors of publication	Yang, Jie; Zhang, Shunlin; Feng, Zhe; Cao, Ying; Zhu, Dun-Ru
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	34
Pages of publication	11975 - 11985
a	7.6861 ± 0.0015 Å
b	13.929 ± 0.003 Å
c	13.995 ± 0.003 Å
α	85.24 ± 0.03°
β	77.99 ± 0.03°
γ	88.18 ± 0.03°
Cell volume	1460.3 ± 0.6 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 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	0.0468
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
268808 (current)	2021-09-06	cif/ Updating files of 7707926, 7707927, 7707928 Original log message: Adding full bibliography for 7707926--7707928.cif.	7707928.cif
267799	2021-07-29	cif/ Adding structures of 7707926, 7707927, 7707928 via cif-deposit CGI script.	7707928.cif