Information card for entry 7109816

Structure parameters

• Common name: Ph2N-BCl2-IPr
• Chemical name: Diphenylaminodichloroborane-1,3-Bis (2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene
• Formula: C46 H54 B Cl2 N3
• Calculated formula: C46 H54 B Cl2 N3
• SMILES: [B](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)N(c1ccccc1)c1ccccc1.c1(ccccc1)C
• Title of publication: Polyaminoborane main chain scission using N-heterocyclic carbenes; formation of donor-stabilised monomeric aminoboranes
• Authors of publication: Naomi E. Stubbs; Titel Jurca; Erin M. Leitao; Christopher H. Woodall; Ian Manners
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9098
• a: 10.9067 ± 0.001 Å
• b: 19.265 ± 0.002 Å
• c: 19.688 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4136.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0887
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No