Information card for entry 4075774

Structure parameters

• Formula: C38 H29 Cl4 Mn N2 O7 P2 Rh2
• Calculated formula: C38 H25 Cl4 Mn N2 O7 P2 Rh2
• SMILES: [Rh]1234([Mn]56([Rh]7([P](Cc8[n]7n2c(c8)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])([C]35=O)C6=O)(C#[O])(C#[O])C4=O)C#[O].ClCCl.ClCCl
• 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: 13.1441 ± 0.0001 Å
• b: 14.5146 ± 0.0004 Å
• c: 13.0817 ± 0.0003 Å
• α: 96.136 ± 0.001°
• β: 115.051 ± 0.001°
• γ: 68.505 ± 0.002°
• Cell volume: 2100.27 ± 0.08 ų
• Cell temperature: 213.2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for all reflections included in the refinement: 0.1769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No