Information card for entry 8104765

Structure parameters

• Chemical name: 3,3'-((carbonylbis(azanediyl))bis(ethane-2,1-diyl))bis(1- methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate
• Formula: C21 H28 B2 F8 N6 O2
• Calculated formula: C21 H28 B2 F8 N6 O2
• Title of publication: The crystal structure of 3,3′-((carbonylbis(azanediyl))bis(ethane-2,1-diyl)) bis(1-methyl-1H-benzo[d]imidazol-3-ium) tetrafluoroborate monohydrate, C21H28N6O3B2F8
• Authors of publication: Dong, Zhi-Yun; Xi, Fu-Gui; Xu, Xing-Yu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 3
• Pages of publication: 553 - 555
• a: 17.7949 ± 0.0019 Å
• b: 9.3979 ± 0.001 Å
• c: 15.3455 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2566.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No