Information card for entry 4075771

Structure parameters

• Formula: C39 H30 N2 O2 P2 Rh2
• Calculated formula: C39 H30 N2 O2 P2 Rh2
• SMILES: [Rh]12([P](Cc3n1[n]1[Rh]4([P](Cc1c3)(c1ccccc1)c1ccccc1)([C]2#[C]4c1ccccc1)C#[O])(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: 22.568 ± 0.001 Å
• b: 8.5213 ± 0.0003 Å
• c: 17.8092 ± 0.0005 Å
• α: 90°
• β: 97.387 ± 0.002°
• γ: 90°
• Cell volume: 3396.4 ± 0.2 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.734
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No