Information card for entry 7000784

Structure parameters

• Formula: C61 H86 N6 O25 Rh12 Sn
• Calculated formula: C61 H86 N6 O25 Rh12 Sn
• SMILES: [Sn]1234567([Rh](C8=O)(C(=O)[Rh]5(C(=O)[Rh]78C#[O])C#[O])C#[O])([Rh](C#[O])(C(=O)[Rh]4(C#[O])C#[O])C(=O)[Rh]6(C#[O])C#[O])([Rh](C#[O])(C(=O)[Rh]14C#[O])C(=O)[Rh]2(C(=O)[Rh]3(C1=O)C#[O])C#[O])([Rh](C(=O)[Rh]1C#[O])(C#[O])C4=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: The loss of CO from [Rh12(μ12-Sn)(CO)27]4−: Synthesis, spectroscopic and structural characterization of the electron-deficient, icosahedral [Rh12(μ12-Sn)(CO)25]4− and [Rh12(μ12-Sn)(CO)26]4− tetra-anions
• Authors of publication: Femoni, Cristina; Iapalucci, Maria Carmela; Longoni, Giuliano; Tiozzo, Cristina; Zacchini, Stefano; Heaton, Brian T.; Iggo, Johnathan A.; Zanello, Piero; Fedi, Serena; Garland, Marc V.; Li, Chuanzhao
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 12
• Pages of publication: 2217 - 2223
• a: 12.8773 ± 0.0014 Å
• b: 14.4853 ± 0.0016 Å
• c: 21.568 ± 0.002 Å
• α: 90°
• β: 98.23 ± 0.002°
• γ: 90°
• Cell volume: 3981.7 ± 0.7 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No