Information card for entry 1556359

Structure parameters

• Formula: C108 H126 Ni2 P8
• Calculated formula: C108 H126 Ni2 P8
• SMILES: [P]123[P](CC(=C(C1)C)C)(CC(=C(C2)C)C)[Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P]24[P]([Ni]3([P](c3ccccc3)(c3ccccc3)c3ccccc3)[P]35[P]1(CC(=C(C3)C)C)CC(=C(C5)C)C)(CC(=C(C2)C)C)CC(=C(C4)C)C.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 23.055 ± 0.0002 Å
• b: 23.055 ± 0.0002 Å
• c: 31.0318 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14284.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0376
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0905
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No