Information card for entry 4067325

Structure parameters

• Formula: C30 H58 Ge N2 P2 Si4
• Calculated formula: C30 H58 Ge N2 P2 Si4
• SMILES: [Ge]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: 10.0421 ± 0.0008 Å
• b: 13.8295 ± 0.0011 Å
• c: 15.5082 ± 0.0012 Å
• α: 95.525 ± 0.002°
• β: 108.821 ± 0.002°
• γ: 105.651 ± 0.002°
• Cell volume: 1922.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.0983
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No