Information card for entry 7020946

Structure parameters

• Formula: C128 H136 Cu4 N26 O5
• Calculated formula: C128 H136 Cu4 N26 O5
• Title of publication: Redox-switchable tetra-copper assembly of N,N-, N,O-phenolate-phenanthroimidazolate bridging ligands.
• Authors of publication: Mathias, Jenny-Lee; Arora, Himanshu; Lavi, Ronit; Vezin, Hervé; Yufit, Dmitry; Orio, Maylis; Aliaga-Alcade, Núria; Benisvy, Laurent
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2358 - 2361
• a: 18.2124 ± 0.0007 Å
• b: 19.5173 ± 0.0008 Å
• c: 21.1956 ± 0.0008 Å
• α: 100.234 ± 0.01°
• β: 102.677 ± 0.01°
• γ: 116.684 ± 0.01°
• Cell volume: 6229.2 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1819
• Residual factor for significantly intense reflections: 0.0653
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No