Information card for entry 1542510

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-pentamethyl-<i>N</i>''- [2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate
• Formula: C62 H74 B2 N4 O
• Calculated formula: C62 H74 B2 N4 O
• Title of publication: <i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>',<i>N</i>''-Pentamethyl-<i>N</i>''-[2-(trimethylazaniumyl)ethyl]guanidinium bis(tetraphenylborate) acetone monosolvate
• Authors of publication: Tiritiris, Ioannis; Kantlehner, Willi
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 2
• Pages of publication: x160231
• a: 14.1885 ± 0.0005 Å
• b: 17.5801 ± 0.0007 Å
• c: 22.2543 ± 0.0009 Å
• α: 72.911 ± 0.005°
• β: 86.243 ± 0.006°
• γ: 80.123 ± 0.006°
• Cell volume: 5226.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0694
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes