Crystallography Open Database

Information card for entry 4513797

Preview

Coordinates	4513797.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N1,N2-bis((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)-N1,N2-dimethylethane-1,2-diamine manganese(II) bis(trifluoromethanesulfonate)
Formula	C24 H34 F6 Mn N4 O8 S2
Calculated formula	C24 H34 F6 Mn N4 O8 S2
Title of publication	Enantioselective Epoxidations of Olefins with Various Oxidants on Bioinspired Mn Complexes: Evidence for Different Mechanisms and Chiral Additive Amplification
Authors of publication	Ottenbacher, Roman V.; Samsonenko, Denis G.; Talsi, Evgenii P.; Bryliakov, Konstantin P.
Journal of publication	ACS Catalysis
Year of publication	2016
Journal volume	6
Journal issue	2
Pages of publication	979
a	18.0992 ± 0.0004 Å
b	9.65395 ± 0.00015 Å
c	19.7948 ± 0.0004 Å
α	90°
β	110.024 ± 0.002°
γ	90°
Cell volume	3249.64 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0778
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1828
Weighted residual factors for all reflections included in the refinement	0.1949
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
177384 (current)	2016-03-04	cif/ Updating files of 4513797 Original log message: Adding full bibliography for 4513797.cif.	4513797.cif
174416	2016-01-14	cif/ Adding structures of 4513797 via cif-deposit CGI script.	4513797.cif