Information card for entry 7114674

Structure parameters

• Formula: C44 H52.5 Cu4.63 Gd N27.25 O31.63
• Calculated formula: C44 H46.5 Cu4.65 Gd N27.3 O31.65
• Title of publication: A self-assembled novel octanuclear Cu(ii) ‘pin-wheel’ cluster exhibiting ferromagnetic coupling
• Authors of publication: Xu, Zhiqiang; Thompson, Laurence K.; Miller, David O.
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 13
• Pages of publication: 1170
• a: 26.6469 ± 0.0014 Å
• b: 18.1576 ± 0.0009 Å
• c: 30.4233 ± 0.0016 Å
• α: 90°
• β: 90.282 ± 0.001°
• γ: 90°
• Cell volume: 14719.9 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0845
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1631
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No