Crystallography Open Database

Information card for entry 1565174

Preview

Coordinates	1565174.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H25 Co N2 O6
Calculated formula	C19 H25 Co N2 O6
Title of publication	Homogeneous oxidation of C–H bonds with m-CPBA catalysed by a Co/Fe system: mechanistic insights from the point of view of the oxidant
Authors of publication	Nesterova, Oksana V.; Kuznetsov, Maxim L.; Pombeiro, Armando J. L.; Shul'pin, Georgiy B.; Nesterov, Dmytro S.
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	1
Pages of publication	282 - 299
a	17.5321 ± 0.0014 Å
b	17.5321 ± 0.0014 Å
c	10.9885 ± 0.001 Å
α	90°
β	90°
γ	120°
Cell volume	2925.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0903
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.0983
Weighted residual factors for all reflections included in the refinement	0.1081
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
272555 (current)	2022-02-04	cif/ Updating files of 1565173, 1565174 Original log message: Adding full bibliography for 1565173--1565174.cif.	1565174.cif
270578	2021-11-11	cif/ Adding structures of 1565173, 1565174 via cif-deposit CGI script.	1565174.cif