Information card for entry 7129046

Structure parameters

• Formula: C76 H110 Bi2 O2 Sn4
• Calculated formula: C76 H110 Bi2 O2 Sn4
• SMILES: [Bi]12[Sn](c3c(C(C)C)cccc3C(C)C)([Bi]3[Sn]1(c1c(cccc1C(C)C)C(C)C)[Sn]([Sn]23c1c(C(C)C)cccc1C(C)C)(c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)c1c(cccc1C(C)C)C(C)C.O(C)CCOC
• Title of publication: From organotin hydrides to heteronuclear main group metal compounds: isolation of the first neutral bismuth/tin clusters.
• Authors of publication: Steller, Beate G.; Flock, Michaela; Fischer, Roland C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 78
• Pages of publication: 10095 - 10098
• a: 14.1893 ± 0.0005 Å
• b: 14.1893 ± 0.0005 Å
• c: 37.5042 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7551 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No