Information card for entry 4070741

Structure parameters

• Formula: C38 H66 B Br2 N P2 Pt
• Calculated formula: C38 H66 B Br2 N P2 Pt
• SMILES: [Pt]1(B(N2CCCCC2)Br)(Br)[P](C2CCCCC2)(C2CCCCC2)CC[P]1(C1CCCCC1)C1CCCCC1.c1(ccccc1)C
• Title of publication: Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines
• Authors of publication: Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 3
• Pages of publication: 418
• a: 17.1174 ± 0.0004 Å
• b: 19.8926 ± 0.0004 Å
• c: 23.6733 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8061 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No