Crystallography Open Database

Information card for entry 7706289

Preview

Coordinates	7706289.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H16 Cl Cu N5 O
Calculated formula	C12 H16 Cl Cu N5 O
Title of publication	Structure and synthesis of copper-based Schiff base and reduced Schiff base complexes: a combined experimental and theoretical investigation of biomimetic catalytic activity.
Authors of publication	Mandal, Arnab; Sarkar, Abani; Adhikary, Amit; Samanta, Debabrata; Das, Debasis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	43
Pages of publication	15461 - 15472
a	13.1 ± 0.02 Å
b	8.63 ± 0.014 Å
c	13.62 ± 0.02 Å
α	90°
β	97.62 ± 0.04°
γ	90°
Cell volume	1526 ± 4 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290.29 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	0.1187
Residual factor for significantly intense reflections	0.0504
Weighted residual factors for significantly intense reflections	0.1099
Weighted residual factors for all reflections included in the refinement	0.1429
Goodness-of-fit parameter for all reflections included in the refinement	1.1214
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
260521 (current)	2021-01-05	cif/ Adding structures of 7706287, 7706288, 7706289 via cif-deposit CGI script.	7706289.cif