Information card for entry 4317361

Structure parameters

• Formula: C58 H53 B2 F8 N11 Ni4 O14
• Calculated formula: C58 H53 B2 F8 N11 Ni4 O14
• Title of publication: Defective Dicubane-like Tetranuclear Nickel(II) Cyanate and Azide Nanoscale Magnets
• Authors of publication: Zurine Serna; Noelia De la Pinta; M. Karmele Urtiaga; Luis Lezama; Gotzon Madariaga; J. Modesto Clemente-Juan; Eugenio Coronado; Roberto Cortés
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11541 - 11549
• a: 14.108 ± 0.003 Å
• b: 18.19 ± 0.004 Å
• c: 25.924 ± 0.007 Å
• α: 90°
• β: 105.26 ± 0.03°
• γ: 90°
• Cell volume: 6418 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No