Crystallography Open Database

Information card for entry 4003830

Preview

Coordinates	4003830.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H15 Cu2 I3 N4
Calculated formula	C7 H15 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	7.534 ± 0.0003 Å
b	8.0865 ± 0.0004 Å
c	13.015 ± 0.0005 Å
α	101.614 ± 0.004°
β	96.329 ± 0.003°
γ	103.651 ± 0.004°
Cell volume	744.31 ± 0.06 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 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	0.0286
Residual factor for significantly intense reflections	0.0218
Weighted residual factors for significantly intense reflections	0.0484
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	0.953
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.	4003830.cif
259468	2020-12-03	cif/ Adding structures of 4003830 via cif-deposit CGI script.	4003830.cif