Information card for entry 4084900

Structure parameters

• Formula: C30 H52 B2 N2 P2 Pt
• Calculated formula: C30 H52 B2 N2 P2 Pt
• SMILES: [Pt]1(B(N(C)C)C2c3c(C(B1N(C)C)c1c2cccc1)cccc3)([P](CC)(CC)CC)[P](CC)(CC)CC
• 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: 9.9115 ± 0.0007 Å
• b: 18.8798 ± 0.0009 Å
• c: 16.9717 ± 0.0011 Å
• α: 90°
• β: 90.179 ± 0.005°
• γ: 90°
• Cell volume: 3175.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No