Crystallography Open Database

Information card for entry 1567789

Preview

Coordinates	1567789.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H15 F6 Mn N3 O7 S2
Calculated formula	C14 H15 F6 Mn N3 O7 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	8.9946 ± 0.0007 Å
b	9.9209 ± 0.0008 Å
c	12.2244 ± 0.0009 Å
α	90°
β	105.646 ± 0.003°
γ	90°
Cell volume	1050.42 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.1046
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.217
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.	1567789.cif
278611	2022-10-18	cif/ Adding structures of 1567788, 1567789 via cif-deposit CGI script.	1567789.cif