Information card for entry 4066200

Structure parameters

• Formula: C47 H44 Cl2 N2 O2 P2 Pt
• Calculated formula: C47 H44 Cl2 N2 O2 P2 Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#CC(=O)N(C)C)C#CC(=O)N(C)C.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: 9.7026 ± 0.0019 Å
• b: 24.852 ± 0.005 Å
• c: 18.987 ± 0.006 Å
• α: 90°
• β: 109.68 ± 0.03°
• γ: 90°
• Cell volume: 4311 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0363
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No