Information card for entry 2239858

Structure parameters

• Chemical name: Di-μ-hydroxido-bis{[<i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1-)]zinc}
• Formula: C42 H52 N4 O2 Zn2
• Calculated formula: C42 H52 N4 O2 Zn2
• SMILES: C1(=CC(C)=[N](c2c(cccc2C)C)[Zn]2(N1c1c(cccc1C)C)[OH][Zn]1([N](=C(C=C(C)N1c1c(cccc1C)C)C)c1c(cccc1C)C)[OH]2)C
• Title of publication: Crystal structure of di-μ-hydroxido-bis{[<i>N</i>,<i>N</i>'-bis(2,6-dimethylphenyl)pentane-2,4-diiminato(1‒)]zinc}
• Authors of publication: Goodner, Joshua A.; Powers, Brandon J.; Powell, Douglas R.; Yang, Lei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: m320 - m321
• a: 12.8736 ± 0.0004 Å
• b: 8.7682 ± 0.0003 Å
• c: 17.453 ± 0.0005 Å
• α: 90°
• β: 105.222 ± 0.002°
• γ: 90°
• Cell volume: 1900.95 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0297
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0779
• Weighted residual factors for all reflections included in the refinement: 0.0789
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes