Information card for entry 7020953

Structure parameters

• Formula: C31 H51 B10 Cl2 N
• Calculated formula: C31 H51 B10 Cl2 N
• SMILES: B(c1ccc([C]234[CH]56[BH]789[BH]%105[BH]5%117[BH]7%128[BH]269[BH]23%12[BH]3%117[BH]6%105[BH]423[H]6)cc1)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[N+](C)(C)(C)C.C(Cl)Cl
• Title of publication: Dual sensing of fluoride ions by the o-carborane-triarylborane dyad.
• Authors of publication: Song, Ki Cheol; Kim, Hyungjun; Lee, Kang Mun; Lee, Yoon Sup; Do, Youngkyu; Lee, Min Hyung
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2351 - 2354
• a: 8.5671 ± 0.0012 Å
• b: 11.2992 ± 0.0016 Å
• c: 22.491 ± 0.003 Å
• α: 96.168 ± 0.006°
• β: 97.986 ± 0.006°
• γ: 111.107 ± 0.006°
• Cell volume: 1982 ± 0.5 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: 0.1071
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.238
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No