Information card for entry 7006180

Structure parameters

• Formula: C30 H30 Cu Fe2 N4 O10
• Calculated formula: C30 H30 Cu Fe2 N4 O10
• SMILES: [Cu]123(OC(=O)[C@@H]([NH]1C[c]14[cH]5[Fe]6789%10%111([cH]4[cH]6[cH]57)[cH]1[cH]8[cH]9[cH]%10[cH]%111)CC(=[O]3)N)OC(=O)[C@@H]([NH]2C[c]12[Fe]3456789([cH]([cH]4[cH]13)[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91)CC(=O)N.O.O.O.O
• 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: 11.7307 ± 0.0003 Å
• b: 9.5491 ± 0.0002 Å
• c: 17.4332 ± 0.0004 Å
• α: 90°
• β: 106.12 ± 0.002°
• γ: 90°
• Cell volume: 1876.05 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0841
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1563
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No