Crystallography Open Database

Information card for entry 4328082

Preview

Coordinates	4328082.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NCr(NiPr2)2(NO3)
Formula	C12 H28 Cr N4 O3
Calculated formula	C12 H28 Cr N4 O3
SMILES	[Cr](N(C(C)C)C(C)C)(ON(=O)=O)(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	7.7588 ± 0.0017 Å
b	13.72 ± 0.003 Å
c	8.5521 ± 0.0019 Å
α	90°
β	98.168 ± 0.003°
γ	90°
Cell volume	901.1 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0877
Residual factor for significantly intense reflections	0.0525
Weighted residual factors for significantly intense reflections	0.1102
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	0.984
Diffraction radiation probe	x-ray
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
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.	4328082.cif
77026	2013-03-22	cif/ Adding structures of 4328082 via cif-deposit CGI script.	4328082.cif