Information card for entry 7037484

Structure parameters

• Formula: C41 H44 B I N O0.5
• Calculated formula: C41 H44 B I N O0.5
• Title of publication: Benzoindolium-triarylborane conjugates: a ratiometric fluorescent chemodosimeter for the detection of cyanide ions in aqueous medium.
• Authors of publication: Arivazhagan, C.; Borthakur, Rosmita; Jagan, R.; Ghosh, Sundargopal
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 12
• Pages of publication: 5014 - 5020
• a: 23.094 ± 0.003 Å
• b: 9.7806 ± 0.0012 Å
• c: 15.9792 ± 0.0018 Å
• α: 90°
• β: 94.232 ± 0.003°
• γ: 90°
• Cell volume: 3599.4 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0972
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No