Information card for entry 7016905

Structure parameters

• Formula: C15 H11 Cr N O3
• Calculated formula: C15 H11 Cr N O3
• SMILES: [Cr]12345([c]6([cH]1[cH]2[cH]3[cH]4[cH]56)c1c(N)cccc1)(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: 7.2106 ± 0.0009 Å
• b: 28.14 ± 0.003 Å
• c: 7.1535 ± 0.0008 Å
• α: 90°
• β: 118.175 ± 0.002°
• γ: 90°
• Cell volume: 1279.5 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No