Information card for entry 4321426

Structure parameters

• Chemical name: tetrakis[(THF)magnesium tri(tert-butyl)silylphosphandiide]
• Formula: C68 H148 Mg4 O5 P4 Si4
• Calculated formula: C68 H148 Mg4 O5 P4 Si4
• SMILES: [P]12([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]3([P]4([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]1([O]1CCCC1)[P]1([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]2([P]3([Si](C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Mg]41[O]1CCCC1)[O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: Polyhedral Members of the Mg2nP2m Family Derived from Dimeric Magnesium Trialkylsilylphosphandiide
• Authors of publication: Matthias Westerhausen; Mathias Krofta; Peter Mayer; Marcus Warchhold; Heinrich Nöth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4721 - 4724
• a: 13.4542 ± 0.0014 Å
• b: 26.1232 ± 0.0014 Å
• c: 24.5392 ± 0.0015 Å
• α: 90°
• β: 96.528 ± 0.01°
• γ: 90°
• Cell volume: 8568.8 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0721
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No