Information card for entry 1563606

Structure parameters

• Formula: C51 H87 Fe3 Sb6
• Calculated formula: C51 H87 Fe3 Sb6
• SMILES: [Sb]1234[Sb]567[Sb]89%10[Sb]%11%125[Sb]51([Sb]28([Fe]128%139%115[cH]5[c]1([c]8([cH]%13[c]25C(C)(C)C)C(C)(C)C)C(C)(C)C)[Fe]125836%10[cH]3[c]1([c]8([cH]2[c]53C(C)(C)C)C(C)(C)C)C(C)(C)C)[Fe]123547%12[cH]4[c]1([cH]3[c]2([c]54C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Transfer of Polyantimony Units
• Authors of publication: Heinl, Veronika; Seitz, Andreas; Balazs, Gabor; Seidl, Michael; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 10.4528 ± 0.0003 Å
• b: 14.3499 ± 0.0004 Å
• c: 20.1596 ± 0.0005 Å
• α: 93.653 ± 0.002°
• β: 101.854 ± 0.002°
• γ: 104.007 ± 0.002°
• Cell volume: 2850.83 ± 0.14 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0263
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No