Information card for entry 4337531

Structure parameters

• Formula: C30 H36 Cu4 N10 O16
• Calculated formula: C30 H36 Cu4 N10 O16
• SMILES: c1c2C(=O)N3[N]4=Cc5cccc[n]5[Cu]4(OC(=O)C)([OH][Cu]43([n]2ccn1)[O](C(=O)C)[Cu]12([n]3ccncc3C(=O)N1[N]1=Cc3cccc[n]3[Cu]1(OC(=O)C)([OH]2)[OH2])[O]4C(=O)C)[OH2].O.O
• Title of publication: Anion-tunable configuration isomerism and magnetic coupling in a tetranuclear discrete, one-dimensional (1D) chiral chain and 1D-decker copper(II) complexes of a carbohydrazine derivative.
• Authors of publication: Huang, Wei; Jin, Yuchao; Wu, Dayu; Wu, Genhua
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 73 - 79
• a: 9.1816 ± 0.0003 Å
• b: 10.7148 ± 0.0004 Å
• c: 11.2422 ± 0.0003 Å
• α: 62.331 ± 0.003°
• β: 85.798 ± 0.003°
• γ: 85.028 ± 0.003°
• Cell volume: 975.15 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0434
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No