Crystallography Open Database

Information card for entry 7115513

Preview

Coordinates	7115513.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H48 Cr N4
Calculated formula	C34 H48 Cr N4
SMILES	c12ccccc1N(CC(C)(C)C)[Cr](N2CC(C)(C)C)(=Nc1c(cc(cc1C)C)C)=Nc1c(cc(cc1C)C)C
Title of publication	Influence of redox non-innocent phenylenediamido ligands on chromium imido hydrogen-atom abstraction reactivity
Authors of publication	Wen Zhou; Brian O. Patrick; Kevin M. Smith
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	9958
a	12.1837 ± 0.0004 Å
b	12.1849 ± 0.0003 Å
c	12.4184 ± 0.0004 Å
α	106.399 ± 0.001°
β	91.635 ± 0.002°
γ	113.395 ± 0.002°
Cell volume	1602.36 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
180269 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/55.	7115513.cif
125231	2014-10-10	cif/ Adding structures of 7115507, 7115508, 7115509, 7115510, 7115511, 7115512, 7115513, 7115514, 7115515 via cif-deposit CGI script.	7115513.cif