Crystallography Open Database

Information card for entry 7711872

Preview

Coordinates	7711872.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H24 Cu N4 O4
Calculated formula	C24 H24 Cu N4 O4
SMILES	[Cu]123([OH2])N(C(=O)C(C(=O)N1c1c4[n]3cccc4ccc1)(C)C)c1c3[n]2cccc3ccc1.OC
Title of publication	Bio-inspired Cu(II) amido-quinoline complexes as catalysts for aromatic C-H bond hydroxylation.
Authors of publication	Monika, ?; Sarkar, Aniruddha; Karmodak, Naiwrit; Dhar, Basab Bijayi; Adhikari, Sanjay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	3
Pages of publication	540 - 545
a	7.7535 ± 0.0008 Å
b	10.054 ± 0.001 Å
c	28.075 ± 0.003 Å
α	90°
β	97.94°
γ	90°
Cell volume	2167.6 ± 0.4 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.15 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	0.0687
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1288
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
283345 (current)	2023-05-05	cif/ Updating files of 7711871, 7711872, 7711873 Original log message: Adding full bibliography for 7711871--7711873.cif.	7711872.cif
279710	2022-12-06	cif/ Adding structures of 7711871, 7711872, 7711873 via cif-deposit CGI script.	7711872.cif