Information card for entry 7010033

Structure parameters

• Formula: C47 H36 Ni O9 P2 Ru5 S2
• Calculated formula: C47 H36 Ni O9 P2 Ru5 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: 10.909 ± 0.001 Å
• b: 38.87 ± 0.004 Å
• c: 12.001 ± 0.001 Å
• α: 90°
• β: 98.577 ± 0.002°
• γ: 90°
• Cell volume: 5031.9 ± 0.8 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 7
• 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: 0.055
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for all reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.035
• Goodness-of-fit parameter for all reflections: 2.102
• Goodness-of-fit parameter for all reflections included in the refinement: 2.291
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No