Crystallography Open Database

Information card for entry 7703825

Preview

Coordinates	7703825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H4 N6 Zn
Calculated formula	C7 H2 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	17.0183 ± 0.0005 Å
b	17.0183 ± 0.0005 Å
c	17.0183 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	4928.9 ± 0.3 Å³
Cell temperature	100 ± 0.2 K
Ambient diffraction temperature	100 ± 0.2 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	0.0258
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.107
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.	7703825.cif
249601	2020-03-21	cif/ Adding structures of 7703825, 7703826 via cif-deposit CGI script.	7703825.cif