Information card for entry 4076461

Structure parameters

• Formula: C47 H81 B2 Br5 Cl4 P2 Pt
• Calculated formula: C47 H81 B2 Br5 Cl4 P2 Pt
• SMILES: ClCCl.B(c1c(cc(cc1C)C)C)=[Pt](Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.[B](Br)(Br)(Br)[Br-].C(Cl)Cl
• Title of publication: Reactivity of Boryl Complexes: Synthesis and Structure of New Neutral and Cationic Platinum Boryls and Borylenes
• Authors of publication: Arnold, Nicole; Braunschweig, Holger; Brenner, Peter; Jimenez-Halla, J. Oscar C.; Kupfer, Thomas; Radacki, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 1897
• a: 13.945 ± 0.0007 Å
• b: 14.6747 ± 0.0008 Å
• c: 16.4135 ± 0.0009 Å
• α: 94.617 ± 0.001°
• β: 109.732 ± 0.001°
• γ: 110.204 ± 0.001°
• Cell volume: 2892.3 ± 0.3 ų
• Cell temperature: 169 ± 2 K
• Ambient diffraction temperature: 169 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No