Crystallography Open Database

Information card for entry 7027534

Preview

Coordinates	7027534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37.5 H55.5 Mn N3 O2
Calculated formula	C39 H59 Mn N3 O2
Title of publication	Activation of manganese nitrido complexes by Brønsted and Lewis acids. Crystal structure and asymmetric alkene aziridination of a chiral salen manganese nitrido complex
Authors of publication	Ho, Chi-Ming; Lau, Tai-Chu; Kwong, Hoi-Lun; Wong, Wing-Tak
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	15
Pages of publication	2411
a	10.127 ± 0.001 Å
b	13.846 ± 0.001 Å
c	14.428 ± 0.001 Å
α	68.4 ± 0.02°
β	83.32 ± 0.02°
γ	87.45 ± 0.02°
Cell volume	1868.2 ± 0.4 Å³
Cell temperature	298.2 K
Ambient diffraction temperature	298.2 K
Number of distinct elements	5
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.1006
Goodness-of-fit parameter for significantly intense reflections	2.325
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKalpha
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027534.cif
95446	2014-01-28	cif/ Adding structures of 7027534 via cif-deposit CGI script.	7027534.cif