Information card for entry 4082339

Structure parameters

• Formula: C14 H11 Cr N O2
• Calculated formula: C14 H11 Cr N O2
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]7[cH]1[Cr]34567(C#[O])(C#[O])[n]1c(C2)cccc1
• 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: 7.5721 ± 0.0003 Å
• b: 8.3761 ± 0.0003 Å
• c: 9.7693 ± 0.0004 Å
• α: 90.345 ± 0.002°
• β: 111.723 ± 0.002°
• γ: 92.603 ± 0.002°
• Cell volume: 574.84 ± 0.04 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: 0.0243
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No