Information card for entry 7008390

Structure parameters

• Formula: C20 H36 Cl2 Cu2 Fe N4 O11
• Calculated formula: C20 H36 Cl2 Cu2 Fe N4 O11
• SMILES: [Cu]12([O]([Cu]3([O]=C(O1)[c]14[Fe]56789%10%11([cH]1[cH]5[cH]6[cH]47)[cH]1[cH]8[cH]9[cH]%10[cH]%111)[N](CC[NH2]3)(C)C)C)[N](CC[NH2]2)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Magneto-structural correlations in binuclear copper(II) compounds bridged by a ferrocenecarboxylato(-1) and an hydroxo- or methoxo-ligands.
• Authors of publication: López, Concepción; Costa, Ramon; Illas, Francesc; de Graaf, Coen; Turnbull, Mark M.; Landee, Christopher P.; Espinosa, Enric; Mata, Ignasi; Molins, Elies
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 13
• Pages of publication: 2322 - 2330
• a: 15.928 ± 0.007 Å
• b: 7.485 ± 0.001 Å
• c: 24.593 ± 0.004 Å
• α: 90°
• β: 91.19 ± 0.03°
• γ: 90°
• Cell volume: 2931.4 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2567
• Residual factor for significantly intense reflections: 0.106
• Weighted residual factors for significantly intense reflections: 0.2786
• Weighted residual factors for all reflections included in the refinement: 0.3308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No