Information card for entry 4085128

Structure parameters

• Formula: C26 H33 Bi N2
• Calculated formula: C26 H33 Bi N2
• SMILES: [Bi](c1c(cccc1CN(C)C)CN(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis and Structure of Bis- and Tris-Benzyl Bismuth Complexes
• Authors of publication: Kindra, Douglas R.; Peterson, Jeffrey K.; Ziller, Joseph W.; Evans, William J.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 395
• a: 9.7269 ± 0.0005 Å
• b: 9.7269 ± 0.0005 Å
• c: 43.282 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3546.4 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0182
• Weighted residual factors for significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No