Crystallography Open Database

Information card for entry 7063112

Preview

Coordinates	7063112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H11 Cl2 N3 O10
Calculated formula	C6 H11 Cl2 N3 O10
Title of publication	A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties
Authors of publication	Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	17
Pages of publication	7946 - 7952
a	7.3108 ± 0.001 Å
b	8.3745 ± 0.0012 Å
c	11.0926 ± 0.0016 Å
α	82.288 ± 0.012°
β	89.995 ± 0.011°
γ	74.587 ± 0.012°
Cell volume	648.34 ± 0.16 Å³
Cell temperature	115.25 ± 0.1 K
Ambient diffraction temperature	115.25 ± 0.1 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	0.0465
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0776
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291669 (current)	2024-05-05	cif/ Updating files of 7063111, 7063112, 7063113 Original log message: Adding full bibliography for 7063111--7063113.cif.	7063112.cif
290691	2024-03-28	cif/ Adding structures of 7063111, 7063112, 7063113 via cif-deposit CGI script.	7063112.cif