Crystallography Open Database

Information card for entry 1515491

Preview

Coordinates	1515491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H35 Cl2 Cr N4 O10
Calculated formula	C15 H35 Cl2 Cr N4 O10
Title of publication	Chromium(v)-oxo and chromium(iii)-superoxo complexes bearing a macrocyclic TMC ligand in hydrogen atom abstraction reactions
Authors of publication	Cho, Jaeheung; Woo, Jaeyoung; Eun Han, Jung; Kubo, Minoru; Ogura, Takashi; Nam, Wonwoo
Journal of publication	Chemical Science
Year of publication	2011
Journal volume	2
Journal issue	10
Pages of publication	2057
a	14.215 ± 0.0004 Å
b	9.7664 ± 0.0003 Å
c	16.4588 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2284.96 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.2021
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.164
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515491.cif
111832	2014-04-28	cif/ Adding structures of 1515491 via cif-deposit CGI script.	1515491.cif