Information card for entry 7016907

Structure parameters

• Formula: C15 H11 Cr N O3
• Calculated formula: C15 H11 Cr N O3
• SMILES: [Cr]12345([cH]6[c]5([cH]4[cH]3[cH]2[cH]16)c1ccc(N)cc1)(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: 6.3121 ± 0.0006 Å
• b: 12.3958 ± 0.0012 Å
• c: 16.29 ± 0.0015 Å
• α: 90°
• β: 96.994 ± 0.001°
• γ: 90°
• Cell volume: 1265.1 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0305
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No