Crystallography Open Database

Information card for entry 1567788

Preview

Coordinates	1567788.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 F6 Mn N4 O6 S2
Calculated formula	C16 H16 F6 Mn N4 O6 S2
Title of publication	Manganese N,N,N-pincer complex-catalyzed epoxidation of unactivated aliphatic olefins
Authors of publication	Verspeek, Dennis; Ahrens, Sebastian; Spannenberg, Anke; Wen, Xiaodong; Yang, Yong; Li, Yong-Wang; Junge, Kathrin; Beller, Matthias
Journal of publication	Catalysis Science & Technology
Year of publication	2022
Journal volume	12
Journal issue	24
Pages of publication	7341 - 7348
a	8.8255 ± 0.001 Å
b	11.6235 ± 0.0014 Å
c	12.598 ± 0.0015 Å
α	73.4523 ± 0.0018°
β	75.8056 ± 0.0018°
γ	72.4567 ± 0.0018°
Cell volume	1163.1 ± 0.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1089
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
280157 (current)	2023-01-06	cif/ Updating files of 1567788, 1567789 Original log message: Adding full bibliography for 1567788--1567789.cif.	1567788.cif
278611	2022-10-18	cif/ Adding structures of 1567788, 1567789 via cif-deposit CGI script.	1567788.cif