Crystallography Open Database

Information card for entry 4328086

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Structure parameters

Common name	NCr(NiPr2)2(OC6F5)
Formula	C18 H28 Cr F5 N3 O
Calculated formula	C18 H28 Cr F5 N3 O
SMILES	[Cr](N(C(C)C)C(C)C)(Oc1c(F)c(F)c(F)c(F)c1F)(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	9.9878 ± 0.0004 Å
b	11.3329 ± 0.0005 Å
c	19.2041 ± 0.0009 Å
α	90°
β	92.486 ± 0.001°
γ	90°
Cell volume	2171.68 ± 0.16 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0448
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0939
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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

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