Crystallography Open Database

Information card for entry 7115511

Preview

Coordinates	7115511.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H38 Cr N3 Si2
Calculated formula	C26 H38 Cr N3 Si2
SMILES	c12ccccc1N([Si](C)(C)C)[Cr]1345([cH]6[cH]1[cH]3[cH]4[cH]56)(N2[Si](C)(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	9.436 ± 0.0014 Å
b	26.567 ± 0.004 Å
c	11.327 ± 0.0017 Å
α	90°
β	108.782 ± 0.003°
γ	90°
Cell volume	2688.3 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.0556
Residual factor for significantly intense reflections	0.0406
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	7115511.cif
125231	2014-10-10	cif/ Adding structures of 7115507, 7115508, 7115509, 7115510, 7115511, 7115512, 7115513, 7115514, 7115515 via cif-deposit CGI script.	7115511.cif