Information card for entry 4333513

Structure parameters

• Formula: C36 H71 Cl4 Cu2 N10 O21.5
• Calculated formula: C36 H62 Cl4 Cu2 N10 O21.5
• SMILES: [Cu]1234Oc5c6cccc5C[NH2+]CC[N]1(CC[NH]2C6)CC[NH]3CCC[NH]4CC[NH]1[Cu]234Oc5c6C[NH]3CC[N]4(CC[NH]2CCC1)CC[NH2+]Cc5ccc6.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O.O
• Title of publication: Polynuclear Complexes: Two Amino‒Phenol Macrocycles Spaced by Several Linear Polyamines; Synthesis, Binding Properties, and Crystal Structure
• Authors of publication: Ambrosi, Gianluca; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 21
• Pages of publication: 10424 - 10434
• a: 11.2076 ± 0.0007 Å
• b: 24.643 ± 0.002 Å
• c: 36.939 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10202.1 ± 1.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0821
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Duplicate of: 4303506
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No