Information card for entry 7006047

Structure parameters

• Formula: C63 H86 N6 O27 Rh12 Sn
• Calculated formula: C63 H86 N6 O27 Rh12 Sn
• SMILES: [Sn]123456789%10%11[Rh]%12%13%14%15%16%17([Rh]%18%19%20%21%221([Rh]1%23%242%12([Rh]2%12%253%13([Rh]3%13%264%14([Rh]4%145%15([Rh]5%1593([Rh]39%278%12([Rh]87%232([Rh]2%11%153([Rh]36%181([Rh]%10%19452(C%21=O)(C3=O)C#[O])(C%22=O)(C%24=O)C#[O])(C#[O])(C%27=O)C8=O)(C%25=O)(C#[O])C9=O)C#[O])(C%26=O)(C%14=O)C#[O])(C%17=O)(C%13=O)C#[O])(C%16=O)C#[O])(C#[O])C#[O])(C%20=O)C#[O])C#[O])C#[O].[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC.N#CC
• Title of publication: Sn-centred icosahedral Rh carbonyl clusters: synthesis and structural characterization and 13C-{103Rh} HMQC NMR studies.
• Authors of publication: Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Heaton, Brian T.; Iggo, Jonathan A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 35
• Pages of publication: 3914 - 3923
• a: 13.3914 ± 0.0013 Å
• b: 27.005 ± 0.003 Å
• c: 27.377 ± 0.003 Å
• α: 119.525 ± 0.001°
• β: 98.2 ± 0.002°
• γ: 95.354 ± 0.002°
• Cell volume: 8371.5 ± 1.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1858
• Weighted residual factors for all reflections included in the refinement: 0.1929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No