Information card for entry 4332849

Structure parameters

• Formula: C42 H89.5 Co8 N8 O30.25
• Calculated formula: C42 H89.12 Co8 N8 O30.25
• Title of publication: Mixed-Valent Cobalt Spin Clusters: a Hexanuclear Complex and a One-Dimensional Coordination Polymer Comprised of Alternating Hepta- and Mononuclear Fragments
• Authors of publication: Alley, Kerwyn G.; Bircher, Roland; Waldmann, Oliver; Ochsenbein, Stefan T.; Güdel, Hans U.; Moubaraki, Boujemaa; Murray, Keith S.; Fernandez-Alonso, Felix; Abrahams, Brendan F.; Boskovic, Colette
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 22
• Pages of publication: 8950 - 8957
• a: 11.5243 ± 0.0014 Å
• b: 37.727 ± 0.005 Å
• c: 15.682 ± 0.002 Å
• α: 90°
• β: 105.489 ± 0.003°
• γ: 90°
• Cell volume: 6570.6 ± 1.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No