Information card for entry 4317031

Structure parameters

• Formula: C27 H27 N10 Ni2.5 O6
• Calculated formula: C27 H27 N10 Ni2.5 O6
• 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: 11.7355 ± 0.0006 Å
• b: 12.0289 ± 0.0007 Å
• c: 13.87 ± 0.0008 Å
• α: 111.048 ± 0.006°
• β: 100.118 ± 0.005°
• γ: 109.835 ± 0.005°
• Cell volume: 1617.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No