Information card for entry 1563608

Structure parameters

• Formula: C51 H87 Fe3 Sb2
• Calculated formula: C51 H87 Fe3 Sb2
• SMILES: [Sb]12[Fe]345678([Sb]9[Fe]%10%11%12%1313([Fe]13%14%15249[cH]2[c]%15([cH]3[c]%14([c]12C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[c]%11([c]%12([cH]%10[c]%131C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]7[c]5([c]6([cH]81)C(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: 12.3188 ± 0.0002 Å
• b: 20.5303 ± 0.0004 Å
• c: 20.549 ± 0.0004 Å
• α: 87.329 ± 0.002°
• β: 89.455 ± 0.001°
• γ: 88.319 ± 0.001°
• Cell volume: 5188.97 ± 0.17 ų
• Cell temperature: 123 ± 0.2 K
• Ambient diffraction temperature: 123 ± 0.2 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: 0.0453
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.39222 Å
• Diffraction radiation type: CuKβ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No