Information card for entry 7108327

Structure parameters

• Formula: C18 H37 B10 N P2
• Calculated formula: C18 H37 B10 N P2
• SMILES: P1([C]2345[C]678(P(CN(C1)c1ccccc1)C(C)(C)C)[BH]194[BH]4%102[BH]2%113[BH]3%124[BH]41%10[BH]1%10%12[BH]%12%113[BH]562[BH]8%10%12[BH]7941)C(C)(C)C
• Title of publication: Endocyclic P-P bond cleavage in carbaborane-substituted 1,2-diphosphetane ‒ A new route to secondary phosphinocarbaboranes
• Authors of publication: Evamarie Hey-Hawkins; Peter Lonnecke; Anika Kreienbrink; Matthias Findeisen
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 9385
• a: 11.8524 ± 0.0008 Å
• b: 19.2981 ± 0.0011 Å
• c: 21.5647 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4932.5 ± 0.6 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1788
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No