Information card for entry 4334909

Structure parameters

• Formula: C27 H21 Br2 N5 Ni O2
• Calculated formula: C27 H21 Br2 N5 Ni O2
• 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: 17.9094 ± 0.0002 Å
• b: 17.9094 ± 0.0002 Å
• c: 21.9653 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7045.3 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 140
• Hermann-Mauguin space group symbol: I 4/m c m
• Hall space group symbol: -I 4 2c
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1668
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.238
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No