Crystallography Open Database

Information card for entry 7133363

Preview

Coordinates	7133363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 Cl Cu N6 O6
Calculated formula	C22 H21 Cl Cu N6 O6
Title of publication	Spectroscopic characterization and reactivity studies of a copper(II) iminoxyl radical complex.
Authors of publication	Kaur, Simarjeet; Das, Avijit; Velasco, Lucia; Sauvan, Maxime; Bera, Moumita; Ugale, Ashok; Charisiadis, Asterios; Moonshiram, Dooshaye; Paria, Sayantan
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	73
Pages of publication	9934 - 9937
a	10.905 ± 0.006 Å
b	19.645 ± 0.01 Å
c	11.608 ± 0.006 Å
α	90°
β	104.342 ± 0.017°
γ	90°
Cell volume	2409 ± 2 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 K
Number of distinct elements	6
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	0.1846
Residual factor for significantly intense reflections	0.0846
Weighted residual factors for significantly intense reflections	0.1726
Weighted residual factors for all reflections included in the refinement	0.2198
Goodness-of-fit parameter for all reflections included in the refinement	1.1385
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
295101 (current)	2024-10-06	cif/ Updating files of 7133363 Original log message: Adding full bibliography for 7133363.cif.	7133363.cif
293457	2024-07-19	cif/ Adding structures of 7133363 via cif-deposit CGI script.	7133363.cif