Information card for entry 7104798

Structure parameters

• Formula: C18 H17 N2 O Rh
• Calculated formula: C18 H17 N2 O Rh
• SMILES: [Rh]123456([n]7ccccc7C(O1)(c1ncccc1)CC6)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Dipyridylketone binding and subsequent C‒C bond insertion reactions at cyclopentadienylrhodium
• Authors of publication: Godard, Cyril; Duckett, Simon B.; Parsons, Simon; Perutz, Robin N.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2332 - 2333
• a: 9.6828 ± 0.0013 Å
• b: 11.9109 ± 0.0016 Å
• c: 12.9438 ± 0.0017 Å
• α: 90°
• β: 97.842 ± 0.002°
• γ: 90°
• Cell volume: 1478.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No