Information card for entry 4079755

Structure parameters

• Formula: C122 H130 B2 Cl4 P2 Pt
• Calculated formula: C122 H130 B2 Cl4 P2 Pt
• SMILES: C1(=C(C(=C([B]21C(=C(C(=C2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[Pt]([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)B1C(=C(C(=C1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.ClCCl.ClCCl
• 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: 14.0647 ± 0.0008 Å
• b: 29.0442 ± 0.0016 Å
• c: 24.8349 ± 0.0014 Å
• α: 90°
• β: 97.855 ± 0.002°
• γ: 90°
• Cell volume: 10049.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0576
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No