Information card for entry 4072535

Structure parameters

• Formula: C18 H26 Cl N O P Rh
• Calculated formula: C18 H26 Cl N O P Rh
• SMILES: [Rh]1(Cl)([P](C2=C([N]1(C)C)Cc1c2cccc1)(C(C)C)C(C)C)C#[O]
• Title of publication: Cationic and Formally Zwitterionic Rhodium(I) and Iridium(I) Derivatives of a P,N-Substituted Indene: A Comparative Synthetic, Structural, and Catalytic Investigation
• Authors of publication: Cipot, Judy; McDonald, Robert; Ferguson, Michael J.; Schatte, Gabriele; Stradiotto, Mark
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 3
• Pages of publication: 594
• a: 9.438 ± 0.0004 Å
• b: 10.755 ± 0.0007 Å
• c: 9.71 ± 0.0006 Å
• α: 90°
• β: 102.118 ± 0.003°
• γ: 90°
• Cell volume: 963.66 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4072533
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No