Information card for entry 4323449

Structure parameters

• Chemical name: Barium-N,N'-Bis(trimethylsilyl)-aminodiphenylphosphonimid
• Formula: C44 H72 Ba N4 O2 P2 Si4
• Calculated formula: C44 H72 Ba N4 O2 P2 Si4
• SMILES: [Ba]12([N]([Si](C)(C)C)=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)([N]([Si](C)(C)C)=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Syntheses and Structures of [(THF)nM{(NSiMe3)2PPh2}2] Complexes (M = Be, Mg, Ca, Sr, Ba;n= 0-2): Deviation of Alkaline Earth Metal Cations from the Plane of an Anionic Ligand
• Authors of publication: Roland Fleischer; Dietmar Stalke
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2413 - 2419
• a: 11.318 ± 0.001 Å
• b: 25.198 ± 0.002 Å
• c: 18.314 ± 0.001 Å
• α: 90°
• β: 93.106 ± 0.006°
• γ: 90°
• Cell volume: 5215.3 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0365
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for all reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No