Information card for entry 4064738

Structure parameters

• Formula: C30 H105 B33 Co N9 O2 Sn3
• Calculated formula: C30 H105 B33 Co N9 O2 Sn3
• SMILES: [Sn]1234([Co]([Sn]5678[BH]9%10%11[BH]%12%135[BH]5%146[BH]6%15%12[BH]%12%16%17[BH]%189([BH]9%19%12[BH]75([BH]8%10%189)[BH]%14%15%17%19)[BH]%11%136%16)([Sn]5678[BH]9%10%11[BH]%12%136[BH]6%145[BH]5%158[BH]879[BH]79%15[BH]%1565[BH]5%13%14[BH]6%10%12[BH]%1187[BH]9%1556)(C#[O])C#[O])[BH]567[BH]891[BH]1%10%11[BH]%12%13%14[BH]%156([BH]625[BH]253[BH]481[BH]%10%122[BH]%13%1565)[BH]79%11%14.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.[N+](C)(C)(C)C.N#CC.C(#N)C.N#CC.CC#N
• Title of publication: Cobalt, Rhodium, Iridium, and Ruthenium Carbonyl Complexes with Stanna-closo-dodecaborate:103Rh NMR,119Sn Mössbauer Spectroscopy, and Solid-State119Sn NMR
• Authors of publication: Fleischhauer, Sebastian; Eichele, Klaus; Schellenberg, Inga; Pöttgen, Rainer; Wesemann, Lars
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 11
• Pages of publication: 3200
• a: 12.4299 ± 0.0006 Å
• b: 17.8892 ± 0.0008 Å
• c: 31.737 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7057.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No