Information card for entry 4114070

Structure parameters

• Formula: C102 H135 Cs N22 Rh4 Ru3
• Calculated formula: C102 H135 Cs N22 Rh4 Ru3
• SMILES: C1#[N][Ru]23456([c]7([c]2([c]3([c]4([c]57C)C)C)C)C)[N]#C[Rh]2345(C#N)(C#[N][Ru]789%10%11([c]%12([c]%10([c]9([c]8([c]7%12C)C)C)C)C)[N]#C[Rh]789%101(C#[N][Ru]1%12%13%14([c]%15([c]%14([c]%13([c]%12([c]1%15C)C)C)C)C)([N]#C[Rh]1%12%13%14(C#[N]%11)(C#N)[c]%11([c]1([c]%12([c]%13([c]%14%11C)C)C)C)C)[N]#C[Rh]1%11%12%13(C#[N]6)(C#N)[c]6([c]1([c]%11([c]%12([c]%136C)C)C)C)C)[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C.[Cs+].N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: Structural Chemistry of "Defect" Cyanometalate Boxes: {Cs@[CpCo(CN)3]4[Cp*Ru]3} and {M@[Cp*Rh(CN)3]4[Cp*Ru]3} (M = NH4, Cs)
• Authors of publication: Matthew L. Kuhlman; Thomas B. Rauchfuss
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 10084 - 10092
• a: 14.926 ± 0.0012 Å
• b: 48.475 ± 0.004 Å
• c: 16.0926 ± 0.0012 Å
• α: 90°
• β: 104.076 ± 0.003°
• γ: 90°
• Cell volume: 11294 ± 1.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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 all reflections: 0.1285
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.2541
• Weighted residual factors for all reflections included in the refinement: 0.2569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.341
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No