Information card for entry 4319055

Structure parameters

• Formula: C74 H160 K6 Li6 O2 P6 Si8 Sr
• Calculated formula: C74 H160 K6 Li6 O2 P6 Si8 Sr
• SMILES: [K+].[P-2][Si](C(C)C)(C(C)C)C(C)C.[Sr+2].[P-2][Si](C(C)C)(C(C)C)C(C)C.[K+].[K+].[P-2][Si](C(C)C)(C(C)C)C(C)C.[O-][Si](C)(C)C.c1(ccccc1)C.[Li+].[K+].[P-2][Si](C(C)C)(C(C)C)C(C)C.[K+].[K+].[P-2][Si](C(C)C)(C(C)C)C(C)C.[O-][Si](C)(C)C.[P-2][Si](C(C)C)(C(C)C)C(C)C.c1(ccccc1)C.[Li+].[Li+].[Li+].[Li+].[Li+]
• Title of publication: Cage Compounds of Heterotrimetallic Mixed Phosphanediide/Silanolate Aggregates with an Alkaline Earth Metal-Centered Phosphorus Octahedron
• Authors of publication: Matthias Westerhausen; Sabine Weinrich; Gernot Kramer; Holger Piotrowski
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 7072 - 7076
• a: 17.8124 ± 0.0003 Å
• b: 16.0122 ± 0.0003 Å
• c: 18.5926 ± 0.0004 Å
• α: 90°
• β: 90.57 ± 0.001°
• γ: 90°
• Cell volume: 5302.64 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• 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: 0.0841
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No