Information card for entry 7010032

Structure parameters

• Formula: C46 H36 Ni2 O8 P2 Ru4 S2
• Calculated formula: C46 H36 Ni2 O8 P2 Ru4 S2
• Title of publication: Reactions of nickelocene with an Ru5 cluster: crystal structures of two nickel‒ruthenium clusters containing C2 ligands
• Authors of publication: Adams, Chris J.; Bruce, Michael I.; Halet, Jean-François; Kahlal, Samia; Skelton, Brian W.; White, Allan H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 4
• Pages of publication: 414
• a: 11.416 ± 0.002 Å
• b: 11.416 ± 0.002 Å
• c: 37.328 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4864.8 ± 1.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.034
• Goodness-of-fit parameter for all reflections: 1.28
• Goodness-of-fit parameter for all reflections included in the refinement: 1.378
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No