Information card for entry 7027863

Structure parameters

• Formula: C40 H78 Ni2 O17
• Calculated formula: C40 H78 Ni2 O17
• Title of publication: Nickel pivalate complexes: structural variations and magnetic susceptibility and inelastic neutron scattering studies
• Authors of publication: Chaboussant, Gr�gory; Basler, Reto; G�del, Hans-Ulrich; Ochsenbein, Stefan; Parkin, Andrew; Parsons, Simon; Rajaraman, Gopalan; Sieber, Andreas; Smith, Andrew A.; Timco, Grigore A.; Winpenny, Richard E. P.
• Journal of publication: Dalton Transactions
• Year of publication: 2004
• Journal issue: 17
• Pages of publication: 2758 - 2766
• a: 12.024 ± 0.003 Å
• b: 19.102 ± 0.005 Å
• c: 47.828 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10985 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No