Information card for entry 7006982

Structure parameters

• Formula: C44 H51 P3 Si3
• Calculated formula: C44 H51 P3 Si3
• SMILES: P([Si](C([Si](P(c1ccccc1)c1ccccc1)(C)C)([Si](P(c1ccccc1)c1ccccc1)(C)C)C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Tuning "kappticity" of tripodal ligands.
• Authors of publication: Friesen, Dawn M.; Bowles, Owen J.; McDonald, Robert; Rosenberg, Lisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 22
• Pages of publication: 2671 - 2682
• a: 12.2968 ± 0.0011 Å
• b: 13.0128 ± 0.0012 Å
• c: 13.7299 ± 0.0012 Å
• α: 104.243 ± 0.0015°
• β: 100.5 ± 0.0014°
• γ: 95.9048 ± 0.0014°
• Cell volume: 2068.5 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No