Information card for entry 4340283

Structure parameters

• Formula: C60.5 H67 Br6 N9 Ni4 O13.5
• Calculated formula: C60.5 H67 Br6 N9 Ni4 O13.5
• Title of publication: Self-assembly of a tetranuclear Ni4 cluster with an S = 4 ground state: the first 3d metal cluster bearing a mu4-eta2:eta2-O,O carbonate ligand.
• Authors of publication: Fondo, Matilde; Ocampo, Noelia; García-Deibe, Ana M; Vicente, Ramón; Corbella, Montserrat; Bermejo, Manuel R.; Sanmartín, Jesús
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 255 - 262
• a: 12.7152 ± 0.0011 Å
• b: 12.7462 ± 0.0011 Å
• c: 23.427 ± 0.002 Å
• α: 77.946 ± 0.002°
• β: 84.651 ± 0.002°
• γ: 68.156 ± 0.002°
• Cell volume: 3446 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0875
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.095
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No