Information card for entry 4337614

Structure parameters

• Formula: C58 H42 Cl6 N24 Ni5 O11
• Calculated formula: C58 H38 Cl6 N24 Ni5 O11
• 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: 15.6739 ± 0.0018 Å
• b: 14.7668 ± 0.0017 Å
• c: 18.47 ± 0.002 Å
• α: 90°
• β: 108.501 ± 0.002°
• γ: 90°
• Cell volume: 4054 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.1012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No