Information card for entry 1563605

Structure parameters

• Formula: C26 H42 Sb6 Zr2
• Calculated formula: C26 H42 Sb6 Zr2
• SMILES: [cH]12[c]3([cH]4[cH]5[c]1(C(C)(C)C)[Zr]162345[Sb]2[Sb]3[Sb]6[Sb]4[Sb]1[Sb]2[Zr]125634[cH]3[c]6([cH]5[cH]2[c]13C(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: 7.794 ± 0.0006 Å
• b: 10.9301 ± 0.0011 Å
• c: 11.6145 ± 0.0007 Å
• α: 105.899 ± 0.007°
• β: 96.387 ± 0.006°
• γ: 109.955 ± 0.008°
• Cell volume: 871.21 ± 0.14 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0422
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No