Information card for entry 4067326

Structure parameters

• Formula: C30 H58 N2 P2 Si4 Sn
• Calculated formula: C30 H58 N2 P2 Si4 Sn
• SMILES: [Sn]1(P(C([Si](C)(C)C)[Si](C)(C)C)c2ccccc2[N]1(C)C)P(C([Si](C)(C)C)[Si](C)(C)C)c1ccccc1N(C)C
• Title of publication: Synthesis, Structures, and Dynamic Behavior of Intramolecularly Base-Stabilized Diphosphatetrylenes Containing a Five-Membered Chelate Ring
• Authors of publication: Izod, Keith; Stewart, John; Clegg, William; Harrington, Ross W.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 108
• a: 18.283 ± 0.005 Å
• b: 13.124 ± 0.002 Å
• c: 16.4317 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3942.7 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0539
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No