Information card for entry 7001259

Structure parameters

• Formula: C58 H56 F12 N2 Ni2 P6 S4
• Calculated formula: C58 H56 F12 N2 Ni2 P6 S4
• SMILES: C1(N2CCN(C3=[S][Ni]4([P](c5ccccc5)(c5ccccc5)CC[P]4(c4ccccc4)c4ccccc4)S3)CC2)=[S][Ni]2([P](c3ccccc3)(c3ccccc3)CC[P]2(c2ccccc2)c2ccccc2)S1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Multimetallic arrays: Symmetrical bi-, tri- and tetrametallic complexes based on the group 10 metals and the functionalisation of gold nanoparticles with nickel-phosphine surface units
• Authors of publication: Knight, Edward R.; Leung, Nina H.; Lin, Yvonne H.; Cowley, Andrew R.; Watkin, David J.; Thompson, Amber L.; Hogarth, Graeme; Wilton-Ely, James D. E. T.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 19
• Pages of publication: 3688 - 3697
• a: 10.5842 ± 0.0002 Å
• b: 15.667 ± 0.0002 Å
• c: 18.2992 ± 0.0003 Å
• α: 90°
• β: 95.654 ± 0.0007°
• γ: 90°
• Cell volume: 3019.66 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0677
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for all reflections: 0.1417
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No