Information card for entry 4337345

Structure parameters

• Formula: C31 H47 N3 Zn
• Calculated formula: C31 H47 N3 Zn
• Title of publication: Probing the steric and electronic characteristics of a new bis-pyrrolide pincer ligand.
• Authors of publication: Komine, Nobuyuki; Buell, René W; Chen, Chun-Hsing; Hui, Alice K.; Pink, Maren; Caulton, Kenneth G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1361 - 1369
• a: 13.6754 ± 0.0007 Å
• b: 19.5172 ± 0.001 Å
• c: 11.5242 ± 0.0006 Å
• α: 90°
• β: 106.629 ± 0.001°
• γ: 90°
• Cell volume: 2947.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No