Information card for entry 7023214

Structure parameters

• Formula: C24 H40 Cl2 Cu N8 O8
• Calculated formula: C24 H40 Cl2 Cu N8 O8
• SMILES: c1(c(c(C)[nH][n]1[Cu]([n]1c(c(c([nH]1)C)C)C)([n]1c(c(c(C)[nH]1)C)C)[n]1c(c(c([nH]1)C)C)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: 15.795 ± 0.002 Å
• b: 15.795 ± 0.002 Å
• c: 27.87 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6953.1 ± 1.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No