Information card for entry 4084901

Structure parameters

• Formula: C38 H56 B2 N2 P2 Pt
• Calculated formula: C38 H56 B2 N2 P2 Pt
• SMILES: [Pt]1([P](CC)(CC)CC)([P](CC)(CC)CC)B(N(C)C)C2c3c(C(B1N(C)C)c1c2cc2ccccc2c1)cc1c(c3)cccc1
• Title of publication: Insertion Reactions into the Boron‒Boron Bonds of Barrelene-Type 1,2-Diaminodiboranes(4)
• Authors of publication: Pospiech, Steffen; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6967
• a: 16.6153 ± 0.0007 Å
• b: 18.7713 ± 0.0008 Å
• c: 24.1979 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7547.1 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0743
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No