Information card for entry 4079754

Structure parameters

• Formula: C64 H86 B Br P2 Pt
• Calculated formula: C64 H86 B Br P2 Pt
• SMILES: [Pt](Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(B1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Borole-Derived Spirocyclic Tetraorganoborate
• Authors of publication: Braunschweig, Holger; Hörl, Christian; Hupp, Florian; Radacki, Krzysztof; Wahler, Johannes
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8463
• a: 22.942 ± 0.003 Å
• b: 15.907 ± 0.003 Å
• c: 36.271 ± 0.006 Å
• α: 90°
• β: 90.922 ± 0.004°
• γ: 90°
• Cell volume: 13235 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No