Information card for entry 4328094

Structure parameters

• Formula: C30 H43 Cr N3 O Si
• Calculated formula: C30 H43 Cr N3 O Si
• SMILES: [Cr](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)(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: 15.4879 ± 0.0007 Å
• b: 9.8496 ± 0.0004 Å
• c: 20.4708 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3122.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No