Information card for entry 4073592

Structure parameters

• Common name: complex 1a
• Formula: C51 H83 Cl N O2 P2 Rh
• Calculated formula: C51 H83 Cl N O2 P2 Rh
• SMILES: [Rh]12([P](=Cc3[n]2c(C=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)ccc3)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)Cl.O(CC)CC.O(CC)CC
• Title of publication: Synthesis, Structures, and Catalytic Properties of Late-Transition-Metal 2,6-Bis(2-phosphaethenyl)pyridine Complexes
• Authors of publication: Hayashi, Akito; Okazaki, Masaaki; Ozawa, Fumiyuki; Tanaka, Rika
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 21
• Pages of publication: 5246
• a: 16.98 ± 0.001 Å
• b: 33.843 ± 0.002 Å
• c: 18.534 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10650.6 ± 1.1 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No