Information card for entry 4075776

Structure parameters

• Formula: C64 H50 N4 O4 P4 Rh4
• Calculated formula: C64 H50 N4 O4 P4 Rh4
• SMILES: [Rh]12([P](Cc3cc4[n]([Rh]5([P](C4)(c4ccccc4)c4ccccc4)([C]42[Rh]26([P](Cc7[n]2n2[Rh]([C]5=46)([P](Cc2c7)(c2ccccc2)c2ccccc2)C#[O])(c2ccccc2)c2ccccc2)C#[O])C#[O])n13)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Polynuclear Rhodium Complexes with Dinucleating PNNP Ligand: Dynamic and Diverse M···M Interactions in [(μ-X)Rh2(PNNP)(CO)2]n+and [(μ4-X)Rh4(PNNP)2(CO)4]n+[X = H, O, C⋮C−R, R−C⋮C−R, C⋮C, CHCH2, SMe2;n= 0, 1: PNNP = 3,5-bis(diphenylphosphinomethyl)pyrazolato]
• Authors of publication: Tanaka, Shukichi; Dubs, Christian; Inagaki, Akiko; Akita, Munetaka
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 1
• Pages of publication: 163
• a: 22.608 ± 0.003 Å
• b: 19.32 ± 0.003 Å
• c: 22.188 ± 0.001 Å
• α: 90°
• β: 38.916 ± 0.004°
• γ: 90°
• Cell volume: 6088 ± 1.4 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No