Information card for entry 4077761

Structure parameters

• Formula: C42 H63 O4 Rh4 Ta
• Calculated formula: C42 H63 O4 Rh4 Ta
• SMILES: [Ta]1234567([O]8[Rh]9%10%11([O]1[Rh]1%12%13([O]2[Rh]2%14%15([O]3[Rh]38%16%17[CH]8=[CH]3CC[CH]%16=[CH]%17CC8)[CH]3=[CH]2CC[CH]%14=[CH]%15CC3)[CH]2=[CH]1CC[CH]%12=[CH]%13CC2)[CH]1=[CH]9CC[CH]%10=[CH]%11CC1)[c]1([c]7([c]4([c]5([c]61C)C)C)C)C
• Title of publication: Rhodium and Iridium Hydroxide Complexes [M(μ-OH)(COD)]2(M = Rh, Ir) as Versatile Precursors of Homo and Early−Late Heterobimetallic Compounds. X-ray Crystal Structures of Cp*Ta(μ3-O)4[Rh(COD)]4(Cp* = η5-C5Me5) and [Ir(2-O-3-CN-4,6-Me2-C5HN)(COD)]2
• Authors of publication: Fandos, Rosa; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, Maria José; García Fierro, José Luis; Terreros, Pilar
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 2718
• a: 17.678 ± 0.005 Å
• b: 11.559 ± 0.001 Å
• c: 20.474 ± 0.001 Å
• α: 90°
• β: 103.63 ± 0.009°
• γ: 90°
• Cell volume: 4065.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.149
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No