Information card for entry 4328091

Structure parameters

• Common name: NCr(NiPr2)2(OPhOMe)
• Formula: C19 H35 Cr N3 O2
• Calculated formula: C19 H35 Cr N3 O2
• SMILES: [Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)(Oc1ccc(cc1)OC)#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: 7.9577 ± 0.0005 Å
• b: 9.8405 ± 0.0005 Å
• c: 14.6936 ± 0.001 Å
• α: 94.548 ± 0.004°
• β: 97.378 ± 0.004°
• γ: 106.806 ± 0.004°
• Cell volume: 1084.11 ± 0.12 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: 0.1264
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No