Information card for entry 4337617

Structure parameters

• Formula: C191 H216 N74 Ni20 O74
• Calculated formula: C191 H142 N74 Ni20 O74
• Title of publication: New topologies in pentanuclear nickel/oximato clusters: structural and magnetic characterization.
• Authors of publication: Esteban, Jordi; Font-Bardia, Mercè; Costa, José Sánchez; Teat, Simon J.; Escuer, Albert
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 3194 - 3203
• a: 34.0083 ± 0.0004 Å
• b: 34.0083 ± 0.0004 Å
• c: 12.0595 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13947.6 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.2147
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No