Information card for entry 4328081

Structure parameters

• Common name: NCr(NiPr2)2(NCS)
• Formula: C13 H28 Cr N4 S
• Calculated formula: C13 H28 Cr N4 S
• SMILES: [Cr](N(C(C)C)C(C)C)(N=C=S)(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: 7.3242 ± 0.0018 Å
• b: 13.727 ± 0.003 Å
• c: 18.375 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1847.4 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No