Information card for entry 1563609

Structure parameters

• Formula: C127 H113 Co3 Sb2
• Calculated formula: C127 H113 Co3 Sb2
• SMILES: [Sb]12[Co]345678([Sb]9[Co]%10%11%12%1313([Co]13%14%15249[c]2([c]3([c]1([c]%15([c]%142Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)[c]1([c]%12([c]%10(Cc2ccccc2)[c]%13([c]%111Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)[c]1([c]5([c]6([c]8([c]71Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)Cc1ccccc1.c1cccc(c1)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: 16.0588 ± 0.0002 Å
• b: 19.7981 ± 0.0002 Å
• c: 30.5084 ± 0.0004 Å
• α: 90°
• β: 91.176 ± 0.001°
• γ: 90°
• Cell volume: 9697.6 ± 0.2 ų
• Cell temperature: 128.5 ± 0.3 K
• Ambient diffraction temperature: 128.5 ± 0.3 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No