Crystallography Open Database

Information card for entry 7062774

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Coordinates	7062774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H6 Cu I N4
Calculated formula	C7 H6 Cu I N4
Title of publication	Copper(i) iodide coordination polymers with triazole substituted pyridine ligands: photophysical and electrical conductivity properties
Authors of publication	Mishra, Shivendu; Pandey, Dilip; Mishra, Kulbhushan; Viau, Lydie; Raghuvanshi, Abhinav
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	42
Pages of publication	19751 - 19759
a	4.3131 ± 0.0001 Å
b	16.4341 ± 0.0006 Å
c	12.8515 ± 0.0004 Å
α	90°
β	97.98 ± 0.003°
γ	90°
Cell volume	902.12 ± 0.05 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 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	0.0351
Residual factor for significantly intense reflections	0.0292
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.0698
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
287381 (current)	2023-11-06	cif/ Updating files of 7062773, 7062774, 7062775 Original log message: Adding full bibliography for 7062773--7062775.cif.	7062774.cif
286633	2023-10-03	cif/ Adding structures of 7062773, 7062774, 7062775 via cif-deposit CGI script.	7062774.cif