Information card for entry 2236160

Structure parameters

• Chemical name: Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)\ methyl]-1<i>H</i>-pyrrolato-κ<i>N</i>]copper(II)
• Formula: C30 H38 Cu N4
• Calculated formula: C30 H38 Cu N4
• SMILES: c1(c(c(c2C=c3c(c(c(C)[n]3[Cu]3(n12)[n]1c(c(c(c1=Cc1c(c(c(C)n31)C)C)C)C)C)C)C)C)C)C
• Title of publication: Bis[2,3,4-trimethyl-5-[(3,4,5-trimethyl-2<i>H</i>-pyrrol-2-ylidene-κ<i>N</i>)methyl]-1<i>H</i>-pyrrolato-κ<i>N</i>]copper(II)
• Authors of publication: Erdem, Sultan S.; Fronczek, Frank R.; Watkins, Steven F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1335 - m1336
• a: 7.9737 ± 0.0001 Å
• b: 12.0896 ± 0.0003 Å
• c: 13.9411 ± 0.0004 Å
• α: 92.8065 ± 0.0008°
• β: 105.421 ± 0.0008°
• γ: 91.9772 ± 0.0018°
• Cell volume: 1292.39 ± 0.05 ų
• Cell temperature: 120 ± 0.5 K
• Ambient diffraction temperature: 120 ± 0.5 K
• Cell measurement pressure: 101.3 kPa
• 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 significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.1172
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes