Crystallography Open Database

Information card for entry 7115842

Preview

Coordinates	7115842.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H112 Cr N3 Si2
Calculated formula	C58 H112 Cr N3 Si2
SMILES	c1(c(cccc1C(C)C)C(C)C)N([Si](C(C)C)(C(C)C)C(C)C)[Cr]N(c1c(cccc1C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C.C(CCC)[N+](CCCC)(CCCC)CCCC
Title of publication	A bis(amido) ligand set that supports two-coordinate chromium in the +1, +2, and +3 oxidation states
Authors of publication	Irene C. Cai; Michael I. Lipschutz; T. Don Tilley
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	13062
a	14.7215 ± 0.0004 Å
b	28.4194 ± 0.0008 Å
c	14.8687 ± 0.0004 Å
α	90°
β	90.949 ± 0.002°
γ	90°
Cell volume	6219.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1036
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.112
Weighted residual factors for all reflections included in the refinement	0.1308
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180272 (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 7/11/58.	7115842.cif
127520	2014-11-19	cif/ Adding structures of 7115837, 7115838, 7115839, 7115840, 7115841, 7115842 via cif-deposit CGI script.	7115842.cif