Information card for entry 4311566

Structure parameters

• Formula: C18 H13 F3 N2 Si
• Calculated formula: C18 H13 F3 N2 Si
• SMILES: [Si]1(F)(F)(F)([n]2ccccc2c2[n]1cccc2)C#Cc1ccccc1
• Title of publication: Formation of Hexacoordinate Complexes of PhCCSiF3 with 2,2'-Bipyridine and with 1,10-Phenanthroline through Intermolecular Silicon...Nitrogen Interactions
• Authors of publication: Moshe Nakash; Michael Goldvaser; Israel Goldberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5792 - 5794
• a: 10.375 ± 0.0003 Å
• b: 14.476 ± 0.0004 Å
• c: 10.499 ± 0.0002 Å
• α: 90°
• β: 102.416 ± 0.0015°
• γ: 90°
• Cell volume: 1539.95 ± 0.07 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.1036
• 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