Information card for entry 4311811

Structure parameters

• Formula: C49.5 H53 Cl3 Cu3 N6 O6
• Calculated formula: C49.5 H53 Cl3 Cu3 N6 O6
• Title of publication: Targeted Ferromagnetic Coupling in a Trinuclear Copper(II) Complex: Analysis of the St=3/2 Spin Ground State
• Authors of publication: Thorsten Glaser; Maik Heidemeier; Stefan Grimme; Eckhard Bill
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 5192 - 5194
• a: 26.485 ± 0.004 Å
• b: 12.714 ± 0.002 Å
• c: 31.189 ± 0.005 Å
• α: 90°
• β: 111.006 ± 0.006°
• γ: 90°
• Cell volume: 9804 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0712
• Residual factor for significantly intense reflections: 0.0458
• Weighted residual factors for all reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.1088
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No