Information card for entry 7029453

Structure parameters

• Formula: C72 H86 Cl8 Cu4 N14 O30
• Calculated formula: C72 H86 Cl8 Cu4 N14 O30
• Title of publication: Ferro- and antiferromagnetic coupling in a chlorido-bridged, tetranuclear Cu(ii) complex.
• Authors of publication: Grosshauser, Michael; Comba, Peter; Kim, Jee Young; Ohto, Keisuke; Thuéry, Pierre; Lee, Young Hoon; Kim, Yang; Harrowfield, Jack
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 5662 - 5666
• a: 23.311 ± 0.0015 Å
• b: 8.0645 ± 0.0004 Å
• c: 44.562 ± 0.003 Å
• α: 90°
• β: 92.994 ± 0.006°
• γ: 90°
• Cell volume: 8365.8 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.172
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No