Information card for entry 4503672

Structure parameters

• Common name: m-TUP_SiF6
• Formula: C26 H28 F6 N6 O2 Si
• Calculated formula: C26 H28 F6 N6 O2 Si
• Title of publication: Gradual Transition from NH···Pyridyl Hydrogen Bonding to the NH···O Tape Synthon in Pyridyl Ureas
• Authors of publication: Byrne, Peter; Turner, David R.; Lloyd, Gareth O.; Clarke, Nigel; Steed, Jonathan W.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 3335
• a: 7.3551 ± 0.0015 Å
• b: 13.731 ± 0.003 Å
• c: 13.869 ± 0.003 Å
• α: 70.07 ± 0.03°
• β: 83.74 ± 0.03°
• γ: 86.46 ± 0.03°
• Cell volume: 1308.5 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No