Information card for entry 7023215

Structure parameters

• Formula: C26 H46 Cl2 Cu2 N8 O10
• Calculated formula: C26 H46 Cl2 Cu2 N8 O10
• SMILES: C[O]1[Cu]([n]2c(c(c([nH]2)C)C)C)([n]2c(c(c([nH]2)C)C)C)[O](C)[Cu]1([n]1c(c(c(C)[nH]1)C)C)[n]1c(c(c([nH]1)C)C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
• Title of publication: The Goldilocks principle in action: synthesis and structural characterization of a novel {Cu4(μ3-OH)4} cubane stabilized by monodentate ligands.
• Authors of publication: Ardizzoia, G. Attilio; Brenna, Stefano; Durini, Sara; Therrien, Bruno; Trentin, Ivan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 34
• Pages of publication: 12265 - 12273
• a: 8.7851 ± 0.0017 Å
• b: 10.375 ± 0.002 Å
• c: 10.915 ± 0.002 Å
• α: 85.01 ± 0.02°
• β: 76.37 ± 0.02°
• γ: 72.47 ± 0.02°
• Cell volume: 921.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1075
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.159
• Weighted residual factors for all reflections included in the refinement: 0.1768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.849
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No