Information card for entry 4085071

Structure parameters

• Formula: C46 H79 B Br2 P2 Pt
• Calculated formula: C46 H79 B Br2 P2 Pt
• SMILES: [Pt](B(c1ccc(cc1)C(C)(C)C)Br)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Br
• Title of publication: Investigation of Steric Factors Involved in the Formation of Terminal Cationic Platinum Arylborylene Complexes
• Authors of publication: Arnold, Nicole; Braunschweig, Holger; Brenner, Peter B.; Dewhurst, Rian; Kramer, Thomas; Radacki, Krzysztof
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2343
• a: 13.0435 ± 0.0017 Å
• b: 14.2865 ± 0.0018 Å
• c: 14.9344 ± 0.0018 Å
• α: 80.703 ± 0.004°
• β: 89.627 ± 0.004°
• γ: 72.306 ± 0.004°
• Cell volume: 2613.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No