Information card for entry 7220188

Structure parameters

• Formula: C36 H48 Cl4 Cu4 N12 O32
• Calculated formula: C36 H48 Cl4 Cu4 N12 O32
• Title of publication: Unusual magnetic response in π-stacked 66-dia net structure of [4+2] copper(II) cubane
• Authors of publication: Chattopadhyay, Shouvik; Das, Mithun; shaw, Bikash kumar; saha, Shyamal Kumar; Ghosh, Biswa Nath; Rissanen, Kari
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.0353 ± 0.0006 Å
• b: 19.0353 ± 0.0006 Å
• c: 15.4705 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5605.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1274
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No