Information card for entry 4081291

Structure parameters

• Formula: C29 H26 N8 O
• Calculated formula: C29 H26 N8 O
• SMILES: n1(nccc1)C(n1nccc1)c1cccc2C(C)(C)c3cccc(c3Oc12)C(n1nccc1)n1nccc1
• Title of publication: Bimetallic Complexes for Enhancing Catalyst Efficiency: Probing the Relationship between Activity and Intermetallic Distance
• Authors of publication: Timerbulatova, Marina G.; Gatus, Mark R. D.; Vuong, Khuong Q.; Bhadbhade, Mohan; Algarra, Andr G.; Macgregor, Stuart A.; Messerle, Barbara A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 18
• Pages of publication: 5071
• a: 11.1619 ± 0.0007 Å
• b: 11.8595 ± 0.0009 Å
• c: 18.5571 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2456.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0902
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No