Information card for entry 4088088

Structure parameters

• Formula: C34 H24 N6
• Calculated formula: C34 H24 N6
• SMILES: c1cc(cc(n1)c1cc(ccn1)c1ccc(/N=N/c2ccccc2)cc1)c1ccc(/N=N/c2ccccc2)cc1
• Title of publication: Azobenzene-Appended Bis-Cyclometalated Iridium(III) Bipyridyl Complexes
• Authors of publication: Telleria, Ainara; Pérez-Miqueo, Jorge; Altube, Ainhoa; García-Lecina, Eva; de Cózar, Abel; Freixa, Zoraida
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 23
• Pages of publication: 5513
• a: 5.3182 ± 0.0002 Å
• b: 9.8009 ± 0.0004 Å
• c: 24.1848 ± 0.0008 Å
• α: 90°
• β: 92.483 ± 0.003°
• γ: 90°
• Cell volume: 1259.4 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1117
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No