Information card for entry 4075768

Structure parameters

• Formula: C33 H26 N2 O2 P2 Rh2
• Calculated formula: C33 H26 N2 O2 P2 Rh2
• SMILES: [Rh]12([P](Cc3n1[n]1[Rh]4([C]#[CH]24)([P](Cc1c3)(c1ccccc1)c1ccccc1)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: 11.9921 ± 0.0004 Å
• b: 14.4141 ± 0.0008 Å
• c: 17.4658 ± 0.0009 Å
• α: 90°
• β: 91.523 ± 0.003°
• γ: 90°
• Cell volume: 3018 ± 0.2 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No