Information card for entry 4345276

Structure parameters

• Chemical name: (1E,1'E)-1,1'-(1H-pyrrole-2,5-diyl)bis(N-phenylmethanimine)
• Formula: C24 H27 N3
• Calculated formula: C24 H27 N3
• SMILES: [nH]1c(ccc1/C=N/c1c(cc(cc1C)C)C)/C=N/c1c(cc(cc1C)C)C
• Title of publication: Synthesis and Structure of 2,5-Bis[N-(2,6-mesityl)iminomethyl]pyrrolylcobalt(II): Evidence for One-Electron-Oxidized, Redox Noninnocent Ligand Behavior.
• Authors of publication: Peters, Garvin M.; Winegrad, Jacob B.; Gau, Michael R.; Imler, Gregory H.; Xu, Beibei; Ren, Shenqiang; Wayland, Bradford B.; Zdilla, Michael J.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 3377 - 3385
• a: 8.1829 ± 0.0014 Å
• b: 34.929 ± 0.006 Å
• c: 8.2568 ± 0.0015 Å
• α: 90°
• β: 118.462 ± 0.004°
• γ: 90°
• Cell volume: 2074.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.02 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1052
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No