Crystallography Open Database

Information card for entry 7718909

Preview

Coordinates	7718909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61.25 H76.38 Cl2.62 Cu N2 O3.38 Si2
Calculated formula	C61.25 H76.375 Cl2.625 Cu N2 O3.375 Si2
Title of publication	Copper(II) Complex with a Redox Noninnocent Schiff Base Bearing a Tetraphenyldisiloxane Unit: Synthesis, Structure and Catalytic Oxidation of Cyclohexane
Authors of publication	Arion, Vladimir; Wittmann, Christopher; Palamarciuc, Oleg; Dascalu, Mihaela; Cazacu, Maria; Nesterov, Dmytro; Pombeiro, Armando J. L.; Rapta, P.
Journal of publication	Dalton Transactions
Year of publication	2025
a	13.1866 ± 0.0005 Å
b	27.5398 ± 0.0008 Å
c	16.4083 ± 0.0006 Å
α	90°
β	93.482 ± 0.003°
γ	90°
Cell volume	5947.8 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0746
Residual factor for significantly intense reflections	0.0532
Weighted residual factors for significantly intense reflections	0.1183
Weighted residual factors for all reflections included in the refinement	0.1231
Goodness-of-fit parameter for all reflections included in the refinement	0.963
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300110 (current)	2025-06-18	cif/ Adding structures of 7718908, 7718909 via cif-deposit CGI script.	7718909.cif