Information card for entry 7047380

Structure parameters

• Chemical name: Co7(OH)4(Hesp)2(esp)4(MeCN)2.4MeCN
• Formula: C108 H144 Co7 N6 O28
• Calculated formula: C108 H144 Co7 N6 O28
• Title of publication: Cobalt complexes of the chelating dicarboxylate ligand "esp": a paddlewheel-type dimer and a heptanuclear coordination cluster.
• Authors of publication: Pakula, Ryan J.; Berry, John F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 39
• Pages of publication: 13887 - 13893
• a: 14.4865 ± 0.0008 Å
• b: 17.3169 ± 0.0009 Å
• c: 22.9538 ± 0.0012 Å
• α: 94.052 ± 0.003°
• β: 94.507 ± 0.003°
• γ: 95.506 ± 0.003°
• Cell volume: 5696.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0593
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1232
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No