Information card for entry 1556360

Structure parameters

• Formula: C108 H126 As2 Ni2 P6
• Calculated formula: C108 H126 As2 Ni2 P6
• SMILES: [P]123[P](CC(=C(C1)C)C)(CC(=C(C2)C)C)[Ni]1([As](c2ccccc2)(c2ccccc2)c2ccccc2)[P]24[P]([Ni]3([As](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: 23.0523 ± 0.0008 Å
• b: 23.0523 ± 0.0008 Å
• c: 31.4482 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 14472.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0766
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No