Information card for entry 1556358

Structure parameters

• Formula: C83 H106 O P8 Pd2
• Calculated formula: C83 H106 O P8 Pd2
• SMILES: [P]123[P](CC(=C(C2)C)C)([Pd]2([P]45[P](CC(=C(C4)C)C)(CC(=C(C5)C)C)[Pd]3([P]34[P]2(CC(=C(C)C4)C)CC(=C(C3)C)C)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)CC(=C(C1)C)C.O1CCCC1.c1ccccc1C
• Title of publication: Bicyclic dinuclear tris-(ditopic diphosphane) complexes of zerovalent group 10 metals
• Authors of publication: Tofan, Daniel; Cummins, Christopher C.
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 2474
• a: 12.3521 ± 0.0003 Å
• b: 14.0198 ± 0.0003 Å
• c: 23.3487 ± 0.0005 Å
• α: 74.059 ± 0.001°
• β: 80.729 ± 0.001°
• γ: 82.851 ± 0.001°
• Cell volume: 3823.38 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No