Crystallography Open Database

Information card for entry 2023082

2023081 << 2023082 >> 2023083

Preview

Coordinates	2023082.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(1<i>H</i>-Imidazole-κ<i>N</i>^3^)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ^3^<i>O</i>,<i>N</i>,<i>O</i>']copper(II)
Formula	C22 H23 Cu N5 O3
Calculated formula	C22 H23 Cu N5 O3
Title of publication	Crystal structure and Hirshfeld surface analysis of (1H-imidazole-κN 3)[4-methyl-2-({[2-oxido-5-(2-phenyldiazen-1-yl)phenyl]methylidene}amino)pentanoate-κ3 O,N,O′]copper(II)
Authors of publication	Kaneda, Ai; Suzuki, Soma; Nakane, Daisuke; Kashiwagi, Yukiyasu; Akitsu, Takashiro
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	5
a	8.2816 ± 0.0002 Å
b	17.4856 ± 0.0003 Å
c	14.9186 ± 0.0003 Å
α	90°
β	104.478 ± 0.002°
γ	90°
Cell volume	2091.74 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0397
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.0957
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
291225 (current)	2024-04-16	cif/ Adding structures of 2023082 via cif-deposit CGI script.	2023082.cif