Crystallography Open Database

Information card for entry 7059157

Preview

Coordinates	7059157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H6 Cs N9 O3
Calculated formula	C4 H6 Cs N9 O3
Title of publication	Novel 3D cesium(i)-based EMOFs of nitrogen-rich triazole derivatives as “green” orange-light pyrotechnics
Authors of publication	Wang, Tingwei; Zhou, Jinyang; Zhang, Qi; Zhang, Lin; Zhu, Shunguan; Li, Yan
Journal of publication	New Journal of Chemistry
Year of publication	2020
Journal volume	44
Journal issue	4
Pages of publication	1278 - 1284
a	7.09549 ± 0.00018 Å
b	10.8347 ± 0.0003 Å
c	12.9313 ± 0.0003 Å
α	90°
β	89.883 ± 0.002°
γ	90°
Cell volume	994.12 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.06
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
257729 (current)	2020-10-06	cif/ Updating files of 7059157 Original log message: Adding full bibliography for 7059157.cif.	7059157.cif
247783	2020-02-04	cif/ Updating files of 7059157 Original log message: Adding full bibliography for 7059157.cif.	7059157.cif
244797	2019-11-29	cif/ Adding structures of 7059157 via cif-deposit CGI script.	7059157.cif