Crystallography Open Database

Information card for entry 4328078

Preview

Coordinates	4328078.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NCr(NiPr2)2(CO2Ph)
Formula	C19 H33 Cr N3 O2
Calculated formula	C19 H33 Cr N3 O2
SMILES	[Cr](OC(=O)c1ccccc1)(N(C(C)C)C(C)C)(N(C(C)C)C(C)C)#N
Title of publication	Evaluation of Donor and Steric Properties of Anionic Ligands on High Valent Transition Metals
Authors of publication	Stephen A. DiFranco; Nicholas A. Maciulis; Richard J. Staples; Rami J. Batrice; Aaron L. Odom
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	1187 - 1200
a	7.8239 ± 0.0001 Å
b	24.3142 ± 0.0003 Å
c	11.2038 ± 0.0001 Å
α	90°
β	96.396 ± 0.001°
γ	90°
Cell volume	2118.05 ± 0.04 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0355
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0931
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179383 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/80.	4328078.cif
77022	2013-03-22	cif/ Adding structures of 4328078 via cif-deposit CGI script.	4328078.cif