Information card for entry 7018691

Structure parameters

• Formula: C26 H20 Cu2 N8 O12
• Calculated formula: C26 H20 Cu2 N8 O12
• SMILES: c12cccc3[n]1[Cu]1(OC2=O)([O]=C3NCc2c[n](ccc2)[Cu]23([n]4c(cccc4C(NCc4c[n]1ccc4)=[O]3)C(=O)O2)ON(=O)=O)ON(=O)=O
• Title of publication: Building blocks for coordination polymers: self-assembled cleft-like and planar discrete metallo-macrocyclic complexes.
• Authors of publication: Abdul-Kadir, Maisara; Hanton, Lyall R.; Sumby, Christopher J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4497 - 4505
• a: 16.775 ± 0.002 Å
• b: 11.9723 ± 0.0015 Å
• c: 14.055 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2822.7 ± 0.6 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No