Information card for entry 4334914

Structure parameters

• Formula: C30 H27 Br2 Cu N5 O2
• Calculated formula: C30 H27 Br2 Cu N5 O2
• SMILES: [Cu]123(Br)[n]4ccccc4C(c4cccc(c5cccc[n]35)[n]24)(c2cccc(c3ccccn3)[n]12)O.[Br-].C1CCCO1
• 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: 8.102 ± 0.0002 Å
• b: 12.6064 ± 0.0004 Å
• c: 14.3542 ± 0.0003 Å
• α: 102.358 ± 0.002°
• β: 94.987 ± 0.002°
• γ: 98.461 ± 0.002°
• Cell volume: 1405.86 ± 0.07 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0469
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No