Crystallography Open Database

Information card for entry 7063686

Preview

Coordinates	7063686.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	nagash
Formula	C12 H17 Cu N2 O6.5
Calculated formula	C12 H17 Cu N2 O6.5
Title of publication	Exploring the first and second hyperpolarizabilities of l-glutamine-based Schiff base ligands and their Cu(ii) coordination complexes
Authors of publication	Manurkar, Nagesh; Ilyas, Mubashar; Arshad, Faiza; Patil, Prasanna; Shah, Haroon; Khan, Maroof Ahmad; Hussain, Wajid; Li, Hui
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	13
Pages of publication	5200 - 5212
a	24.1267 ± 0.0013 Å
b	11.1271 ± 0.0005 Å
c	11.7481 ± 0.0006 Å
α	90°
β	117.052 ± 0.002°
γ	90°
Cell volume	2808.8 ± 0.2 Å³
Cell temperature	297.61 K
Ambient diffraction temperature	297.61 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0263
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
299022 (current)	2025-04-05	cif/ Updating files of 7063685, 7063686 Original log message: Adding full bibliography for 7063685--7063686.cif.	7063686.cif
298315	2025-03-07	cif/ Adding structures of 7063685, 7063686 via cif-deposit CGI script.	7063686.cif