Crystallography Open Database

Information card for entry 7711871

Preview

Coordinates	7711871.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H19 Cl Cu N4 O2
Calculated formula	C23 H19 Cl Cu N4 O2
SMILES	[Cu]12(Cl)[O]=C(Nc3cccc4c3nccc4)C(C(=O)N1c1c3[n]2cccc3ccc1)(C)C
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	10.1783 ± 0.0005 Å
b	10.5304 ± 0.0004 Å
c	10.9027 ± 0.0005 Å
α	72.66 ± 0.002°
β	73.038 ± 0.002°
γ	73.118 ± 0.002°
Cell volume	1040.11 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.03
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0705
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	7711871.cif
279710	2022-12-06	cif/ Adding structures of 7711871, 7711872, 7711873 via cif-deposit CGI script.	7711871.cif