Information card for entry 4066660

Structure parameters

• Formula: C70 H116 Br N6 O8 Y
• Calculated formula: C70 H116 Br N6 O8 Y
• Title of publication: Synthesis of Cationic N-Heterocyclic Carbene Lanthanide Bromide and the Influence of N-Heterocyclic Carbene and Lanthanide Metals
• Authors of publication: Yao, Haisheng; Zhang, Jinguo; Zhang, Yong; Sun, Hongmei; Shen, Qi
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 22
• Pages of publication: 5841
• a: 13.7992 ± 0.0014 Å
• b: 14.0689 ± 0.0012 Å
• c: 20.4879 ± 0.0016 Å
• α: 74.61 ± 0.006°
• β: 83.98 ± 0.007°
• γ: 86.331 ± 0.008°
• Cell volume: 3811 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1618
• Residual factor for significantly intense reflections: 0.115
• Weighted residual factors for significantly intense reflections: 0.2694
• Weighted residual factors for all reflections included in the refinement: 0.2979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No