Crystallography Open Database

Information card for entry 7063270

Preview

Coordinates	7063270.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Cd N10
Calculated formula	C4 H4 Cd N10
Title of publication	Integrating three types of structure reinforcements abounding in heat-resistant explosives to construct a 3D solvent-free EMOF with superb stability
Authors of publication	Hou, Tianjiao; Leng, Huiting; Chen, Mengjia; Luo, Jun; Zhang, Chong; Zhang, Yu; Yi, Zhenxin; Zhang, Shunlin; Shen, Xuan
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	28
Pages of publication	12697 - 12705
a	7.9084 ± 0.0014 Å
b	10.8324 ± 0.0019 Å
c	9.4962 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	813.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0171
Residual factor for significantly intense reflections	0.0163
Weighted residual factors for significantly intense reflections	0.039
Weighted residual factors for all reflections included in the refinement	0.0411
Goodness-of-fit parameter for all reflections included in the refinement	1.1072
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
293898 (current)	2024-08-05	cif/ Updating files of 7063270, 7063271 Original log message: Adding full bibliography for 7063270--7063271.cif.	7063270.cif
292471	2024-06-20	cif/ Adding structures of 7063270, 7063271 via cif-deposit CGI script.	7063270.cif