Information card for entry 4309436

Structure parameters

• Formula: C57 H53 K N3 O P2 Sm
• Calculated formula: C57 H53 K N3 O P2 Sm
• SMILES: [Sm]12345([P](N1P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)(N(c1ccccc1)c1ccccc1)[cH]1[cH]2[cH]3[cH]4[cH]51.[K+].O1CCCC1
• Title of publication: Lanthanide-Potassium Wheels
• Authors of publication: Michael T. Gamer; Peter W. Roesky
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5963 - 5965
• a: 29.512 ± 0.005 Å
• b: 29.512 ± 0.005 Å
• c: 23.318 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 20309 ± 8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0877
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No