Crystallography Open Database

Information card for entry 7062983

Preview

Coordinates	7062983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H30 Cl2 Cu N6 O10
Calculated formula	C22 H30 Cl2 Cu N6 O10
Title of publication	Synergistic effects of steric constraints and non-covalent interactions in copper(ii) chloro-nitro-benzoato complexes: synthesis, structural characterization, theoretical investigations, antimicrobial studies, and molecular docking analyses
Authors of publication	Chauhan, Chetan; Kumar, Santosh; Kumar, Rajesh; Saini, Anju; Aree, Thammarat
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	9
Pages of publication	3829 - 3848
a	11.6447 ± 0.0015 Å
b	6.2469 ± 0.0011 Å
c	19.4239 ± 0.001 Å
α	90°
β	97.353 ± 0.004°
γ	90°
Cell volume	1401.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1317
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1731
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
290249 (current)	2024-03-04	cif/ Updating files of 7062982, 7062983, 7062984 Original log message: Adding full bibliography for 7062982--7062984.cif.	7062983.cif
289180	2024-01-21	cif/ Adding structures of 7062982, 7062983, 7062984 via cif-deposit CGI script.	7062983.cif