Information card for entry 4317032

Structure parameters

• Formula: C56 H58.5 N20 Ni5 O12.25
• Calculated formula: C56 H58 N20 Ni5 O12.26
• Title of publication: Combining Azide, Carboxylate, and 2-Pyridyloximate Ligands in Transition-Metal Chemistry: Ferromagnetic NiII5 Clusters with a Bowtie Skeleton
• Authors of publication: Constantina Papatriantafyllopoulou; Theocharis C. Stamatatos; Wolfgang Wernsdorfer; Simon J. Teat; Anastasios J. Tasiopoulos; Albert Escuer; Spyros P. Perlepes
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10486 - 10496
• a: 14.4167 ± 0.0013 Å
• b: 24.334 ± 0.002 Å
• c: 19.8508 ± 0.0017 Å
• α: 90°
• β: 95.628 ± 0.002°
• γ: 90°
• Cell volume: 6930.4 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1254
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No