Crystallography Open Database

Information card for entry 7703826

Preview

Coordinates	7703826.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H4 N6 Zn
Calculated formula	C6.5 H4 N6 Zn
Title of publication	Adjustment of the performance and stability of isostructural zeolitic tetrazolate-imidazolate frameworks.
Authors of publication	Li, Hai-Zhen; Du, Dong-Ying; Sun, Yayong; Wang, Fei; Zhang, Jian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	15
Pages of publication	4690 - 4693
a	17.0156 ± 0.0007 Å
b	17.0156 ± 0.0007 Å
c	17.0156 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	4926.5 ± 0.4 Å³
Cell temperature	99.98 ± 0.15 K
Ambient diffraction temperature	99.98 ± 0.15 K
Number of distinct elements	4
Space group number	217
Hermann-Mauguin space group symbol	I -4 3 m
Hall space group symbol	I -4 2 3
Residual factor for all reflections	0.0563
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1653
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.135
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
251665 (current)	2020-05-05	cif/ Updating files of 7703825, 7703826 Original log message: Adding full bibliography for 7703825--7703826.cif.	7703826.cif
249601	2020-03-21	cif/ Adding structures of 7703825, 7703826 via cif-deposit CGI script.	7703826.cif