Information card for entry 4334749

Structure parameters

• Formula: C46 H71.5 Cl4 N2.5 Ni O8 P2
• Calculated formula: C46 H71.5 Cl4 N2.5 Ni O8 P2
• SMILES: [Ni]12([P](CC=[N]1[C@@H](C)c1ccccc1)(C1CCCCC1)C1CCCCC1)[P](CC=[N]2[C@@H](C)c1ccccc1)(C1CCCCC1)C1CCCCC1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl.N#CC
• Title of publication: Synthesis of New Late Transition Metal P,P-, P,N-, and P,O- Complexes Using Phosphonium Dimers as Convenient Ligand Precursors
• Authors of publication: Kanghee Park; Paraskevi O. Lagaditis; Alan J. Lough; Robert H. Morris
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5448 - 5456
• a: 10.8605 ± 0.0002 Å
• b: 19.3658 ± 0.0004 Å
• c: 23.801 ± 0.0005 Å
• α: 90°
• β: 93.267 ± 0.0012°
• γ: 90°
• Cell volume: 4997.74 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1142
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No