Information card for entry 7001260

Structure parameters

• Formula: C78 H72 Cl8 F12 Fe2 N2 Ni2 P6 S4
• Calculated formula: C78 H72 Cl8 F12 Fe2 N2 Ni2 P6 S4
• SMILES: [c]123[cH]4[cH]5[cH]6[cH]1[Fe]17893456[c]3([cH]1[cH]7[cH]8[cH]93)[P]([Ni]1([P]2(c2ccccc2)c2ccccc2)[S]=C(N2CCN(C3=[S][Ni]4([P]([c]56[cH]7[cH]8[cH]9[cH]5[Fe]5%10%11%126789[c]6([cH]5[cH]%10[cH]%11[cH]%126)[P]4(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)S3)CC2)S1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl
• 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: 10.735 ± 0.002 Å
• b: 19.056 ± 0.004 Å
• c: 21.662 ± 0.004 Å
• α: 90°
• β: 91.46 ± 0.03°
• γ: 90°
• Cell volume: 4429.9 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No