Information card for entry 4066351

Structure parameters

• Formula: C25 H33 O2 Rh
• Calculated formula: C25 H33 O2 Rh
• SMILES: [Rh]1234([c]5([c]1([c]2([c]3([c]45C)C)C)C)c1cc(cc(c1)C(C)(C)C)C(C)(C)C)(C#[O])C#[O]
• Title of publication: Synthesis of Rhodium Complexes with Bulky Substituted Cyclopentadienyl Ligands. H/D Exchange Reactions and Silane Activation†
• Authors of publication: Esqueda, Ana Cristina; Conejero, Salvador; Maya, Celia; Carmona, Ernesto
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5481
• a: 9.1973 ± 0.0018 Å
• b: 16.598 ± 0.003 Å
• c: 15.441 ± 0.003 Å
• α: 90°
• β: 94.38 ± 0.03°
• γ: 90°
• Cell volume: 2350.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0449
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No