Information card for entry 7008391

Structure parameters

• Formula: C23 H42 Cl2 Cu2 Fe N4 O11
• Calculated formula: C23 H42 Cl2 Cu2 Fe N4 O11
• SMILES: [Cu]12([N](CC[N]1(C)C)(C)C)[OH][Cu]1([N](CC[N]1(C)C)(C)C)([O]=C([c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[cH]1[cH]7[cH]8[cH]9[cH]%101)O2)OCl(=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: 9.241 ± 0.001 Å
• b: 16.743 ± 0.001 Å
• c: 21.306 ± 0.001 Å
• α: 90 ± 0.01°
• β: 90 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 3296.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.2701
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.899
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No