Information card for entry 7031799

Structure parameters

• Formula: C27 H25 Br N4 O2
• Calculated formula: C27 H21 Br N4 O2
• Title of publication: Carbene based photochemical molecular assemblies for solar driven hydrogen generation.
• Authors of publication: Peuntinger, Katrin; Pilz, T. David; Staehle, Robert; Schaub, Markus; Kaufhold, Simon; Petermann, Lydia; Wunderlin, Markus; Görls, Helmar; Heinemann, Frank W.; Li, Jing; Drewello, Thomas; Vos, Johannes G.; Guldi, Dirk M.; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 36
• Pages of publication: 13683 - 13695
• a: 13.9804 ± 0.0008 Å
• b: 14.0396 ± 0.0006 Å
• c: 14.3866 ± 0.0009 Å
• α: 65.191 ± 0.002°
• β: 74.784 ± 0.003°
• γ: 72.977 ± 0.003°
• Cell volume: 2419 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1632
• Residual factor for significantly intense reflections: 0.0919
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No