Information card for entry 7011530

Structure parameters

• Formula: C52 H68 Cu4 N22 O33
• Calculated formula: C52 H68 Cu4 N22 O33
• Title of publication: A homoleptic, self-assembled [2 ×2] square Cu4 complex exhibiting intramolecular ferromagnetic exchange
• Authors of publication: Xu, Zhiqiang; Thompson, Laurence K.; Miller, David O.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 12
• Pages of publication: 2462
• a: 13.7944 ± 0.0007 Å
• b: 13.7944 ± 0.0007 Å
• c: 40.546 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7715.3 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1539
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.2079
• Weighted residual factors for all reflections included in the refinement: 0.2435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No