Information card for entry 4070817

Structure parameters

• Formula: C32.88 H43 B F3 N2 O Pt
• Calculated formula: C25 H34 B F3 N2 O Pt
• SMILES: [Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[O]([C@@H]1[C@H]2[C@H]2CC[C@@H]1C2)[B](F)(F)F.[Pt]12([n]3c(c4[n]1ccc(c4)C(C)(C)C)cc(cc3)C(C)(C)C)[O]([C@H]1[C@@H]2[C@@H]2CC[C@H]1C2)[B](F)(F)F
• Title of publication: A Family of Platinaoxetanes
• Authors of publication: Wu, Jianguo; Sharp, Paul R.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1234
• a: 30.3734 ± 0.0012 Å
• b: 10.4959 ± 0.0004 Å
• c: 23.0024 ± 0.0009 Å
• α: 90°
• β: 97.115 ± 0.001°
• γ: 90°
• Cell volume: 7276.6 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0507
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No