Information card for entry 7037654

Structure parameters

• Formula: C29 H25.25 Br Co N6 O1.13
• Calculated formula: C29 H25 Br Co N6 O1.125
• Title of publication: Cobalt complexes of tetradentate, bipyridine-based macrocycles: their structures, properties and photocatalytic proton reduction.
• Authors of publication: Joliat, E.; Schnidrig, S.; Probst, B.; Bachmann, C.; Spingler, B.; Baldridge, K. K.; von Rohr, F.; Schilling, A.; Alberto, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1737 - 1745
• a: 7.5599 ± 0.0007 Å
• b: 14.9746 ± 0.0015 Å
• c: 22.551 ± 0.003 Å
• α: 90°
• β: 93.612 ± 0.009°
• γ: 90°
• Cell volume: 2547.8 ± 0.5 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.098
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No