Crystallography Open Database

Information card for entry 4003831

Preview

Coordinates	4003831.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H19 Cu2 I3 N4
Calculated formula	C9 H19 Cu2 I3 N4
Title of publication	Family of Robust and Strongly Luminescent CuI-Based Hybrid Networks Made of Ionic and Dative Bonds
Authors of publication	Artem’ev, Alexander V.; Davydova, Maria P.; Hei, Xiuze; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Bagryanskaya, Irina Yu.; Brylev, Konstantin A.; Fedin, Vladimir P.; Chen, Jia-Shiang; Cotlet, Mircea; Li, Jing
Journal of publication	Chemistry of Materials
Year of publication	2020
Journal volume	32
Journal issue	24
Pages of publication	10708 - 10718
a	8.8107 ± 0.0003 Å
b	11.8934 ± 0.0004 Å
c	15.5661 ± 0.0006 Å
α	90°
β	97.24 ± 0.004°
γ	90°
Cell volume	1618.15 ± 0.1 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 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	0.0195
Residual factor for significantly intense reflections	0.017
Weighted residual factors for significantly intense reflections	0.0309
Weighted residual factors for all reflections included in the refinement	0.0314
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
260416 (current)	2021-01-04	cif/ Updating files of 4003830, 4003831, 4003832 Original log message: Adding full bibliography for 4003830--4003832.cif.	4003831.cif
259469	2020-12-03	cif/ Adding structures of 4003831 via cif-deposit CGI script.	4003831.cif