Information card for entry 4083830

Structure parameters

• Formula: C16 H25 Cr N O
• Calculated formula: C16 H25 Cr N O
• SMILES: [Cr]1234567(N=O)([CH2]=[C]1([C]2(=[CH2]3)C)C)[c]1([c]7([c]6([c]5([c]41C)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: 8.5929 ± 0.0007 Å
• b: 23.7465 ± 0.0019 Å
• c: 8.5735 ± 0.0007 Å
• α: 90°
• β: 116.89 ± 0.0011°
• γ: 90°
• Cell volume: 1560.3 ± 0.2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No