Information card for entry 7000583

Structure parameters

• Common name: Bis(4-nonafluorobiphenyl)boronic acid hydrate
• Chemical name: Bis(4-nonafluorobiphenyl)boronic acid hydrate
• Formula: C42 H3 B D18 F18 O2
• Calculated formula: C42 H21 B F18 O2
• SMILES: [B]([OH2])(O)(c1c(c(c(c(c1F)F)c1c(c(c(c(c1F)F)F)F)F)F)F)c1c(c(c(c(c1F)F)c1c(F)c(c(c(c1F)F)F)F)F)F.c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: The synthesis, structure and reactivity of 4-nonafluorobiphenyl complexes
• Authors of publication: Martin, Eddy; Hughes, David L.; Hursthouse, Michael B.; Male, Louise; Lancaster, Simon J.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 9
• Pages of publication: 1593 - 1601
• a: 7.0808 ± 0.0002 Å
• b: 14.5619 ± 0.0007 Å
• c: 18.4705 ± 0.0008 Å
• α: 92.21 ± 0.002°
• β: 95.502 ± 0.003°
• γ: 99.797 ± 0.002°
• Cell volume: 1865.15 ± 0.13 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No