Information card for entry 4083831

Structure parameters

• Formula: C17 H29 Cr N O2 Si
• Calculated formula: C17 H29 Cr N O2 Si
• SMILES: [Cr]12345(N=O)(C#[O])([CH2]=[CH]1C[Si](C)(C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• Title of publication: s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium
• Authors of publication: Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 2705
• a: 12.3077 ± 0.0015 Å
• b: 13.0033 ± 0.0015 Å
• c: 12.7883 ± 0.0015 Å
• α: 90°
• β: 106.697 ± 0.002°
• γ: 90°
• Cell volume: 1960.4 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No