Information card for entry 7006181

Structure parameters

• Formula: C28 H34 Cu Fe2 N2 O7
• Calculated formula: C28 H34 Cu Fe2 N2 O7
• SMILES: [Cu]12(OC(=O)[C@@H]([NH]1C[c]13[cH]4[Fe]56789%101([cH]3[cH]5[cH]46)[cH]1[cH]8[cH]%10[cH]9[cH]71)CO)(OC(=O)[C@@H]([NH]2C[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]36)[cH]1[cH]5[cH]8[cH]7[cH]91)CO)[OH2]
• Title of publication: Ferrocene substitution in amino acids strengthens the axial binding in Cu(II) complexes and separates the hydrophobic and hydrophilic region in the crystals.
• Authors of publication: Sahoo, Subash Chandra; Ray, Manabendra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 5148 - 5155
• a: 7.8867 ± 0.0002 Å
• b: 11.1661 ± 0.0003 Å
• c: 32.3867 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2852.09 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0306
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0615
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No