Information card for entry 4105098

Structure parameters

• Common name: (dmpm)Zn(py)2
• Chemical name: bis-pyridine (1,9-dimesityl-5,5-dimethyldipyrromethanato)zinc(II)
• Formula: C39 H42 N4 Zn
• Calculated formula: C39 H42 N4 Zn
• SMILES: [Zn]1(n2c(ccc2C(c2n1c(cc2)c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C)([n]1ccccc1)[n]1ccccc1
• Title of publication: Unusual Electronic Structure of First Row Transition Metal Complexes Featuring Redox-Active Dipyrromethane Ligands
• Authors of publication: Evan R. King; Theodore A. Betley
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14374 - 14380
• a: 11.9617 ± 0.0016 Å
• b: 15.652 ± 0.002 Å
• c: 19.66 ± 0.003 Å
• α: 67.369 ± 0.002°
• β: 87.695 ± 0.003°
• γ: 82.901 ± 0.002°
• Cell volume: 3371.3 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No