Information card for entry 2238113

Structure parameters

• Chemical name: <i>N</i>-[3-(Benzyldimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium bis(tetraphenylborate)
• Formula: C65 H72 B2 N4
• Calculated formula: C65 H72 B2 N4
• SMILES: N(C(N(C)C)=[NH+]CCC[N+](C)(C)Cc1ccccc1)(C)C.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: <i>N</i>-[3-(Benzyldimethylazaniumyl)propyl]-<i>N</i>',<i>N</i>',<i>N</i>'',<i>N</i>''-tetramethylguanidinium bis(tetraphenylborate)
• Authors of publication: Tiritiris, Ioannis
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o899
• a: 17.1981 ± 0.0003 Å
• b: 17.3466 ± 0.0003 Å
• c: 17.8082 ± 0.0004 Å
• α: 90°
• β: 94.182 ± 0.001°
• γ: 90°
• Cell volume: 5298.55 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes