Crystallography Open Database

Information card for entry 4328075

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Structure parameters

Common name	NCr(NiPr2)2(C12H8N)
Formula	C24 H36 Cr N4
Calculated formula	C24 H36 Cr N4
SMILES	[Cr](N(C(C)C)C(C)C)(#N)(N(C(C)C)C(C)C)n1c2ccccc2c2c1cccc2
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	11.8024 ± 0.0002 Å
b	15.8322 ± 0.0002 Å
c	13.0317 ± 0.0002 Å
α	90°
β	95.488 ± 0.001°
γ	90°
Cell volume	2423.92 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0509
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1047
Weighted residual factors for all reflections included in the refinement	0.1096
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
201982 (current)	2017-10-13	cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop.	4328075.cif
179383	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.	4328075.cif
77019	2013-03-22	cif/ Adding structures of 4328075 via cif-deposit CGI script.	4328075.cif