Information card for entry 7019759

Structure parameters

• Formula: C38 H33 B F10 N2
• Calculated formula: C38 H33 B F10 N2
• SMILES: [B]([n]1[nH]c(cc1C(C)(C)C)C(C)(C)C)(C#Cc1ccccc1)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.c1(ccccc1)C
• Title of publication: Fixation of carbon dioxide and related small molecules by a bifunctional frustrated pyrazolylborane Lewis pair.
• Authors of publication: Theuergarten, Eileen; Schlösser, Janin; Schlüns, Danny; Freytag, Matthias; Daniliuc, Constantin G.; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9101 - 9110
• a: 11.048 ± 0.0006 Å
• b: 13.2011 ± 0.0007 Å
• c: 13.2014 ± 0.0007 Å
• α: 73.524 ± 0.005°
• β: 69.985 ± 0.005°
• γ: 78.473 ± 0.005°
• Cell volume: 1723.48 ± 0.17 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: 0.0335
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No