Information card for entry 4066355

Structure parameters

• Common name: in manuscript 5a
• Formula: C20 H41 Cl N P2 Rh
• Calculated formula: C20 H41 Cl N P2 Rh
• SMILES: [Rh]12([P](C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)(Cl)[CH2]=[CH]2C#N
• Title of publication: Neutralcis-Alkyl Olefin Rhodium(I) Complexes: Models of Intermediates in Late Transition Metal Olefin Polymerization with Surprising Structure†
• Authors of publication: Urtel, Heiko; Meier, Claudia; Rominger, Frank; Hofmann, Peter
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5496
• a: 10.9515 ± 0.0001 Å
• b: 14.1024 ± 0.0002 Å
• c: 15.331 ± 0.0001 Å
• α: 90°
• β: 97.331 ± 0.001°
• γ: 90°
• Cell volume: 2348.4 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No