Information card for entry 4030391

Structure parameters

• Formula: C36 H31 Cl3 Fe2 Si
• Calculated formula: C36 H31 Cl3 Fe2 Si
• Title of publication: Synthesis and optoelectronic properties of janus-dendrimer-type multivalent donor-acceptor systems.
• Authors of publication: Dengiz, Cagatay; Breiten, Benjamin; Gisselbrecht, Jean-Paul; Boudon, Corinne; Trapp, Nils; Schweizer, W. Bernd; Diederich, François
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 882 - 896
• a: 7.8579 ± 0.0012 Å
• b: 10.9549 ± 0.0015 Å
• c: 19.72 ± 0.003 Å
• α: 75.763 ± 0.005°
• β: 80.428 ± 0.005°
• γ: 80.484 ± 0.005°
• Cell volume: 1608.7 ± 0.4 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 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: 0.1343
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.2143
• Weighted residual factors for all reflections included in the refinement: 0.2491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No