Information card for entry 4300784

Structure parameters

• Formula: C34 H86 Cl2 Mg3 N4 O8 P2 Si6
• Calculated formula: C34 H86 Cl2 Mg3 N4 O8 P2 Si6
• SMILES: C[Si](C)(C)[N]1=P2(N([Si](C)(C)C)[Si](C)(C)C)O[Mg]345([N]([Si](C)(C)C)=P6(N([Si](C)(C)C)[Si](C)(C)C)O[Mg]781([Mg]3([Cl]4)([Cl]7)([O]1CCCC1)([O]1CCCC1)([O]28)[O]56)[O]1CCCC1)[O]1CCCC1
• Title of publication: Mono-, Di-, and Tricoordinated Phosphorus Attached to a N-N Unit: An Experimental and Theoretical Study
• Authors of publication: Gerd Fischer; Sebastian Herler; Peter Mayer; Axel Schulz; Alexander Villinger; Jan J. Weigand
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1740 - 1751
• a: 13.669 ± 0.003 Å
• b: 27.625 ± 0.006 Å
• c: 15.347 ± 0.003 Å
• α: 90°
• β: 98.47 ± 0.03°
• γ: 90°
• Cell volume: 5732 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0829
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1264
• Weighted residual factors for all reflections included in the refinement: 0.1408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No