Information card for entry 4082336

Structure parameters

• Formula: C15 H11 Cr N O3
• Calculated formula: C15 H11 Cr N O3
• SMILES: [Cr]12345([c]6([cH]4[cH]1[cH]5[cH]2[cH]36)Cc1ncccc1)(C#[O])(C#[O])C#[O]
• Title of publication: Photochemistry of Chromium Arene Tricarbonyl Complexes with Tethered Pyridinyl and Propenyl Groups: Investigations of the Effect of Ring Size on Chelate Formation, Structure, and Linkage Isomerization
• Authors of publication: Duke, Charles B.; Letterman, Roger G.; Johnson, Jermaine O.; Barr, James W.; Hu, Songnan; Ross, Charles R.; Webster, Charles Edwin; Burkey, Theodore J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 485
• a: 8.0221 ± 0.0003 Å
• b: 8.1586 ± 0.0003 Å
• c: 11.6167 ± 0.0006 Å
• α: 101.417 ± 0.002°
• β: 96.374 ± 0.002°
• γ: 116.347 ± 0.001°
• Cell volume: 650.5 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No