Information card for entry 7013510

Structure parameters

• Formula: C60.75 H69.75 N4 Ni4 O12.75
• Calculated formula: C60.75 H68 N4 Ni4 O12.75
• Title of publication: Synthesis, structure and magnetic properties of hydroxyquinaldine-bridged cobalt and nickel cubanes
• Authors of publication: Guillem Aromí; Andrei S. Batsanov; Paul Christian; Madeleine Helliwell; Olivier Roubeau; Grigore A. Timco; Richard E. P. Winpenny
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4466 - 4471
• a: 15.774 ± 0.0001 Å
• b: 13.9546 ± 0.0001 Å
• c: 27.3512 ± 0.0003 Å
• α: 90°
• β: 98.9772 ± 0.0003°
• γ: 90°
• Cell volume: 5946.79 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.037
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No