Information card for entry 7102697

Structure parameters

• Formula: C72 H122 Ni10 O27
• Calculated formula: C72 H118 Ni10 O27
• Title of publication: Supertetrahedral decametallic Ni(II) clusters directed by micro(6)-tris-alkoxides.
• Authors of publication: Shaw, Rachel; Tidmarsh, Ian S; Laye, Rebecca H; Breeze, Barbara; Helliwell, Madeleine; Brechin, Euan K; Heath, Sarah L; Murrie, Mark; Ochsenbein, Stefan; Gudel, Hans-Ulrich; McInnes, Eric J L
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 12
• Pages of publication: 1418 - 1419
• a: 23.881 ± 0.003 Å
• b: 23.881 ± 0.003 Å
• c: 16.096 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9179 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 141
• Hermann-Mauguin space group symbol: I 41/a m d :2
• Hall space group symbol: -I 4bd 2
• Residual factor for all reflections: 0.0847
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2197
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.237
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No