Information card for entry 4328075

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 ų
• 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 Fobs: No