Information card for entry 7027865

Structure parameters

• Formula: C46 H102 Ni4 O22
• Calculated formula: C46 H102 Ni4 O22
• 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: 12.708 ± 0.002 Å
• b: 13.924 ± 0.003 Å
• c: 18.59 ± 0.006 Å
• α: 90°
• β: 91.87 ± 0.02°
• γ: 90°
• Cell volume: 3287.7 ± 1.4 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1292
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No