Information card for entry 4076275

Structure parameters

• Formula: C29 H59 Mg N3 O P2 Si2
• Calculated formula: C29 H59 Mg N3 O P2 Si2
• SMILES: [Mg]12(N([Si](C)(C)C)P(=Cc3cccc([n]13)C=P(N2[Si](C)(C)C)(C(C)C)C(C)C)(C(C)C)C(C)C)[O]1CCCC1
• Title of publication: Syntheses, Structures, and Reactivities of 2,3-Pyrazyl-Linked Bis(1-aza-allyl) Alkali-Metal Complexes
• Authors of publication: Leung, Wing-Por; Ip, Queenie Wai-Yan; Lam, Tai-Wing; Mak, Thomas C. W.
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 6
• Pages of publication: 1284
• a: 38.2658 ± 0.0018 Å
• b: 10.837 ± 0.0005 Å
• c: 18.0881 ± 0.0009 Å
• α: 90°
• β: 104.088 ± 0.001°
• γ: 90°
• Cell volume: 7275.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No