Information card for entry 7016906

Structure parameters

• Formula: C15 H11 Cr N O3
• Calculated formula: C15 H11 Cr N O3
• SMILES: [Cr]12345([c]6([c]5([cH]4[cH]3[cH]2[cH]16)c1ccccc1)N)(C#[O])(C#[O])C#[O]
• Title of publication: Haptotropic rearrangement in tricarbonylchromium complexes of 2-aminobiphenyl and 4-aminobiphenyl.
• Authors of publication: Czerwinski, Curtis J.; Guzei, Ilia A.; Riggle, Kevin M.; Schroeder, Jason R.; Spencer, Lara C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 37
• Pages of publication: 9439 - 9446
• a: 7.5427 ± 0.0005 Å
• b: 12.7303 ± 0.0009 Å
• c: 26.7851 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2571.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No