Information card for entry 7037651

Structure parameters

• Formula: C32 H30 N6
• Calculated formula: C32 H30 N6
• SMILES: c12cccc(c3cccc(C(c4cccc(c5cccc(C1(C#N)CCCC)n5)n4)(C#N)CCCC)n3)n2
• 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: 8.2048 ± 0.0003 Å
• b: 14.7409 ± 0.0005 Å
• c: 22.1721 ± 0.0009 Å
• α: 85.744 ± 0.003°
• β: 87.213 ± 0.003°
• γ: 89.981 ± 0.003°
• Cell volume: 2671.06 ± 0.17 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2287
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No