Information card for entry 7036054

Structure parameters

• Formula: C21 H14 Br N4 O3 Re
• Calculated formula: C21 H14 Br N4 O3 Re
• Title of publication: Induction of E/Z isomerization in a pendant metal-bound azobenzene: a synthetic, spectroscopic and theoretical study.
• Authors of publication: Hasheminasab, A.; Wang, L.; Dawadi, M. B.; Bass, J.; Herrick, R. S.; Rack, J. J.; Ziegler, C. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15400 - 15403
• a: 6.7633 ± 0.0007 Å
• b: 7.6885 ± 0.0008 Å
• c: 20.877 ± 0.002 Å
• α: 90.827 ± 0.005°
• β: 92.695 ± 0.005°
• γ: 112.441 ± 0.004°
• Cell volume: 1001.66 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No