Crystallography Open Database

Information card for entry 7714687

Preview

Coordinates	7714687.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H40 Cu N2 O3
Calculated formula	C24 H40 Cu N2 O3
SMILES	[Cu]12(Oc3c(C=[N]2CC(C[N]1(C)C)(C)C)cc(cc3C(C)(C)C)C(C)(C)C)OC(=O)C
Title of publication	Zeolite-encapsulated copper(II) complexes with NNO-tridentate Schiff base ligands: catalytic activity for methylene blue (MB) degradation under near neutral conditions.
Authors of publication	Li, Shuyu; Wu, Die; Wang, Xiting; Xiong, Jiaxing; Zhang, Li; Ma, Kaili
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	4
Pages of publication	1517 - 1527
a	9.4658 ± 0.0002 Å
b	13.3186 ± 0.0004 Å
c	13.3608 ± 0.0004 Å
α	64.194 ± 0.001°
β	72.956 ± 0.001°
γ	82.65 ± 0.001°
Cell volume	1449.83 ± 0.07 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	0.0618
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
289497 (current)	2024-02-04	cif/ Updating files of 7714687 Original log message: Adding full bibliography for 7714687.cif.	7714687.cif
288277	2023-12-13	cif/ Adding structures of 7714687 via cif-deposit CGI script.	7714687.cif