Information card for entry 4072221

Structure parameters

• Formula: C82 H101 B2 Br F24 N2 P2 Pt
• Calculated formula: C82 H101 B2 Br F23.997 N2 P2 Pt
• SMILES: [Pt](B(N1CCCCC1)[n]1ccc(cc1)C(C)(C)C)(Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Syntheses and Structures of Mono- and Dinuclear Cationic Base-Stabilized Platinum Borylene Complexes
• Authors of publication: Braunschweig, Holger; Radacki, Krzysztof; Uttinger, Katharina
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 6005
• a: 15.5886 ± 0.0004 Å
• b: 14.4814 ± 0.0003 Å
• c: 38.158 ± 0.001 Å
• α: 90°
• β: 92.916 ± 0.001°
• γ: 90°
• Cell volume: 8602.8 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1156
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No