Information card for entry 4070813

Structure parameters

• Formula: C18 H54 Cl2 N4 P2 Si6
• Calculated formula: C18 H54 Cl2 N4 P2 Si6
• SMILES: C[Si](N([Si](C)(C)C)N(P(Cl)P(N(N([Si](C)(C)C)[Si](C)(C)C)[Si](C)(C)C)Cl)[Si](C)(C)C)(C)C
• Title of publication: Titanocene-Mediated Formation of Phosphorus−Phosphorus Bonds
• Authors of publication: Schaffrath, Markus; Villinger, Alexander; Michalik, Dirk; Rosenthal, Uwe; Schulz, Axel
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 7
• Pages of publication: 1393
• a: 8.762 ± 0.0018 Å
• b: 9.246 ± 0.0018 Å
• c: 12.34 ± 0.003 Å
• α: 77.45 ± 0.03°
• β: 83.69 ± 0.03°
• γ: 63.81 ± 0.03°
• Cell volume: 875.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0214
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0574
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No