Information card for entry 7100016

Structure parameters

• Common name: (Ni2(m-H2O)(O2CCMe3)4(HO2CCMe3)4
• Formula: C40 H78 Ni2 O17
• Calculated formula: C40 H78 Ni2 O17
• Title of publication: Theoretical studies on bi and tetranuclear Ni pivalate complexes
• Authors of publication: R. Winpenny; F. P. Booy; Kirsten Christensen; Finn Larsen; Gopalan Rajaraman; G.A.Timco
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 12.088 ± 0.005 Å
• b: 19.348 ± 0.005 Å
• c: 48.185 ± 0.005 Å
• α: 90 ± 0.005°
• β: 90 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 11269 ± 6 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
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No