Information card for entry 4328080

Structure parameters

• Common name: NCr(NiPr2)2(NCO)
• Formula: C13 H28 Cr N4 O
• Calculated formula: C13 H28 Cr N4 O
• SMILES: [Cr](N(C(C)C)C(C)C)(#N)(N(C(C)C)C(C)C)N=C=O
• 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: 7.3843 ± 0.0003 Å
• b: 8.973 ± 0.0004 Å
• c: 14.0476 ± 0.0006 Å
• α: 106.4°
• β: 92.328 ± 0.001°
• γ: 103.92°
• Cell volume: 860.78 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1475
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No