Crystallography Open Database

Information card for entry 7061057

Preview

Coordinates	7061057.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2 H13 N6 O11 Zn
Calculated formula	C2 H13 N6 O11 Zn
Title of publication	Energetic metal–organic frameworks achieved from furazan and triazole ligands: synthesis, crystal structure, thermal stability and energetic performance
Authors of publication	Gong, Lishan; Chen, Guo; Liu, Yue; Wang, Tingwei; Zhang, Jianguo; Yi, Xiaoyi; He, Piao
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	47
Pages of publication	22299 - 22305
a	11.5599 ± 0.0002 Å
b	8.4029 ± 0.0002 Å
c	13.1796 ± 0.0004 Å
α	90°
β	98.316 ± 0.001°
γ	90°
Cell volume	1266.76 ± 0.05 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0256
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0634
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
271860 (current)	2022-01-06	cif/ Updating files of 7061057 Original log message: Adding full bibliography for 7061057.cif.	7061057.cif
270339	2021-11-06	cif/ Adding structures of 7061057 via cif-deposit CGI script.	7061057.cif