Information card for entry 4066201

Structure parameters

• Formula: C52 H50 Cl4 N2 O2 P2 Pt
• Calculated formula: C52 H50 Cl4 N2 O2 P2 Pt
• SMILES: C(#CC(=O)N1CCCC1)[Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#CC(=O)N1CCCC1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• 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: 8.1772 ± 0.0016 Å
• b: 12.552 ± 0.003 Å
• c: 12.561 ± 0.003 Å
• α: 69.75 ± 0.03°
• β: 83.34 ± 0.03°
• γ: 77.35 ± 0.03°
• Cell volume: 1179.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No