Crystallography Open Database

Information card for entry 8104687

Preview

Coordinates	8104687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H26 Cu N2 O5
Calculated formula	C26 H26 Cu N2 O5
SMILES	c1(ccccc1)C1O[Cu]2([N](=C(C=1)C)c1ccccc1OCCOc1ccccc1[NH2]2)OC(=O)C
Title of publication	The crystal structure of acetato-κ1 O-{(2-(2-(2-aminophenoxy)ethoxy)phenyl)(4-oxo-4-phenylbut-2-en-2-yl)amido-κ2 N,N′,O}copper(II), C26H26CuN2O5
Authors of publication	Yang, Yuanyuan; Jin, Li; Zuo, Zhenyu; Yanhui, Chen; Fang, Chen
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	4
Pages of publication	709 - 711
a	8.809 ± 0.0005 Å
b	11.4984 ± 0.0006 Å
c	12.3941 ± 0.0007 Å
α	90.111 ± 0.002°
β	106.017 ± 0.002°
γ	100.18 ± 0.002°
Cell volume	1185.95 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.036
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
273530 (current)	2022-03-08	cif/ Adding structures of 8104687 via cif-deposit CGI script.	8104687.cif