Crystallography Open Database

Information card for entry 7707926

Preview

Coordinates	7707926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 Ba N13 O10
Calculated formula	C17 H25 Ba N13 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	23.771 ± 0.003 Å
b	7.885 ± 0.0009 Å
c	29.986 ± 0.003 Å
α	90°
β	97.881 ± 0.0018°
γ	90°
Cell volume	5567.3 ± 1.1 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.1091
Weighted residual factors for all reflections included in the refinement	0.1135
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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.	7707926.cif
267799	2021-07-29	cif/ Adding structures of 7707926, 7707927, 7707928 via cif-deposit CGI script.	7707926.cif