Crystallography Open Database

Information card for entry 7133908

Preview

Coordinates	7133908.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 Cl4 Cu N4
Calculated formula	C12 H18 Cl4 Cu N4
Title of publication	Hydrogen-bond Engineering Induced Ferroelastic Phase Transition in Copper-based Organic-Inorganic Hybrid Thermochromic Materials
Authors of publication	Deng, Xin; Zhou, Lin; Yan, Xin; Wang, Yan-Juan; Yang, Wen-Li; Lv, Hui-Peng; Tang, Yuan-Yuan
Journal of publication	Chemical Communications
Year of publication	2024
a	11.3689 ± 0.0018 Å
b	12.3269 ± 0.0011 Å
c	14.343 ± 0.003 Å
α	90°
β	113.26 ± 0.02°
γ	90°
Cell volume	1846.7 ± 0.6 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0975
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1462
Weighted residual factors for all reflections included in the refinement	0.1843
Goodness-of-fit parameter for all reflections included in the refinement	1.0808
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7133908.html