Crystallography Open Database

Information card for entry 4118226

Preview

Coordinates	4118226.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H35 Cl2 Cr N5 O2
Calculated formula	C16 H35 Cl2 Cr N5 O2
Title of publication	A Chromium(III)-Superoxo Complex in Oxygen Atom Transfer Reactions as a Chemical Model of Cysteine Dioxygenase
Authors of publication	Jaeheung Cho; Jaeyoung Woo; Wonwoo Nam
Journal of publication	Journal of the American Chemical Society
Year of publication	2012
Journal volume	134
Pages of publication	11112 - 11115
a	9.72 ± 0.0003 Å
b	15.2412 ± 0.0006 Å
c	15.4722 ± 0.0005 Å
α	77.063 ± 0.002°
β	75.369 ± 0.002°
γ	85.914 ± 0.002°
Cell volume	2161.24 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1217
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178953 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/82.	4118226.cif
75749	2013-03-13	cif/ Adding structures of 4118226 via cif-deposit CGI script.	4118226.cif