Information card for entry 4066202

Structure parameters

• Formula: C56 H64 B2 F8 N2 O4 P2 Pt
• Calculated formula: C56 H64 B2 F8 N2 O4 P2 Pt
• SMILES: [B](F)(F)(F)[F-].C(=C=C(N(C)C)OCC)=[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(=C=C=C(N(C)C)OCC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O=C(C)C.[B](F)(F)(F)[F-].O=C(C)C
• Title of publication: Bis(allenylidene) Complexes of Palladium and Platinum†
• Authors of publication: Kessler, Florian; Weibert, Bernhard; Fischer, Helmut
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 5154
• a: 12.768 ± 0.003 Å
• b: 15.817 ± 0.003 Å
• c: 15.353 ± 0.006 Å
• α: 90°
• β: 117.76 ± 0.02°
• γ: 90°
• Cell volume: 2743.7 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.04
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No