Information card for entry 4334908

Structure parameters

• Formula: C31 H31 Br2 Co N5 O3
• Calculated formula: C31 H31 Br2 Co N5 O3
• SMILES: c1c2C3(c4cccc[n]4[Co]45([n]6c(C(c7cccc[n]47)(c4cccc[n]54)O)cccc36)([n]2ccc1)Br)O.CCOCC.[Br-]
• Title of publication: 3d Element Complexes of Pentadentate Bipyridine-Pyridine-Based Ligand Scaffolds: Structures and Photocatalytic Activities
• Authors of publication: Cyril Bachmann; Miguel Guttentag; Bernhard Spingler; Roger Alberto
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6055 - 6061
• a: 8.5667 ± 0.0001 Å
• b: 10.081 ± 0.0002 Å
• c: 17.4483 ± 0.0003 Å
• α: 90°
• β: 97.268 ± 0.002°
• γ: 90°
• Cell volume: 1494.74 ± 0.04 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0479
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No