Information card for entry 4308182

Structure parameters

• Formula: C22 H42 Cl4 Cu N8 O19
• Calculated formula: C22 H42 Cl4 Cu N8 O19
• SMILES: [Cu]1234[NH2]CC[N]2(CC[NH2]1)Cc1[n]3c2c(cc1)ccc1ccc([n]4c21)CN(CC[NH3+])CC[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: A New Branched Phenanthroline Derivative Ligand: Synthesis, Solution Chemistry, and Crystal Structures of Copper(II) and Zinc(II) Complexes
• Authors of publication: Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4737 - 4748
• a: 9.4067 ± 0.0007 Å
• b: 9.694 ± 0.0006 Å
• c: 20.412 ± 0.001 Å
• α: 77.837 ± 0.005°
• β: 80.571 ± 0.006°
• γ: 85.084 ± 0.005°
• Cell volume: 1792.4 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.073
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No