Information card for entry 4328087

Structure parameters

• Common name: NCr(NiPr2)2(OPh)
• Formula: C18 H33 Cr N3 O
• Calculated formula: C18 H33 Cr N3 O
• SMILES: [Cr](Oc1ccccc1)(N(C(C)C)C(C)C)(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: 9.0652 ± 0.0002 Å
• b: 9.5288 ± 0.0002 Å
• c: 13.1027 ± 0.0004 Å
• α: 105.746 ± 0.002°
• β: 106.63 ± 0.002°
• γ: 98.91 ± 0.001°
• Cell volume: 1010.05 ± 0.05 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: 0.0453
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1084
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No