Information card for entry 2238631

Structure parameters

• Chemical name: Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))
• Formula: C36 H40 Cu2 N4 O8
• Calculated formula: C36 H40 Cu2 N4 O8
• SMILES: [Cu]123([N](=Cc4c(c(ccc4)OC)O2)C)[N](C)=Cc2cccc(OC)c2[O]1[Cu]12([O]3c3c(cccc3C=[N]1C)OC)[N](=Cc1c(c(ccc1)OC)O2)C
• Title of publication: Bis{μ-2-methoxy-6-[(methylimino)methyl]phenolato}bis({2-methoxy-6-[(methylimino)methyl]phenolato}copper(II))
• Authors of publication: Sydoruk, Tetyana V.; Buvaylo, Elena A.; Kokozay, Vladimir N.; Vassilyeva, Olga Yu.; Skelton, Brian W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 10
• Pages of publication: m551 - m552
• a: 10.1889 ± 0.0012 Å
• b: 15.2033 ± 0.0005 Å
• c: 21.6254 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3349.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No