Information card for entry 7050268

Structure parameters

• Chemical name: catena-(octakis(μ ~3~-hydroxo)-tris((μ ~2~-oxalato-O,O') -(piperazine-N,N'))-hepta-nickel)
• Formula: C18 H38 N6 Ni7 O20
• Calculated formula: C18 H38 N6 Ni7 O20
• Title of publication: Ferromagnetic coupling in a heptanuclear nickel cluster with a vertex-shared dicubane structure
• Authors of publication: Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 558
• a: 14.6951 ± 0.0012 Å
• b: 14.6951 ± 0.0012 Å
• c: 12.813 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2396.2 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No