Information card for entry 7102391

Structure parameters

• Formula: C48 H70 Cu2 N10 O10
• Calculated formula: C48 H70 Cu2 N10 O10
• SMILES: c12ccccc1C=[N]1CCC[N](C)(C)[Cu]31([N](=Cc1c(cccc1)O3)CCC[NH+](C)C)O2.c12ccccc1C=[N](CCCN(C)C)[Cu]1([N](=Cc3c(cccc3)O1)CCC[NH+](C)C)O2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Novel ambient light induced trimerization of a simple copper(II) monomeric Schiff base complex.
• Authors of publication: Saha, Manas K; Bernal, Ivan; Fronczek, Frank R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 1
• Pages of publication: 84 - 85
• a: 10.587 ± 0.003 Å
• b: 25.273 ± 0.006 Å
• c: 39.355 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10530 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1688
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No