Information card for entry 4314201

Structure parameters

• Formula: C15 H24 Cl4 Cu2 N4 O
• Calculated formula: C15 H24 Cl4 Cu2 N4 O
• SMILES: [Cu]1(Cl)(Cl)[NH]2CCN(CC[NH]1CC2)C1=[O][Cu](Cl)(Cl)[NH2][C@H]1Cc1ccccc1
• Title of publication: TACN-Amino Acid Conjugates and Their Copper(II) Complexes
• Authors of publication: Arunendu Mondal; Eric L. Klein; Masood A. Khan; Robert P. Houser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5462 - 5464
• a: 7.5158 ± 0.0006 Å
• b: 7.5207 ± 0.0006 Å
• c: 17.9669 ± 0.0015 Å
• α: 90°
• β: 100.012 ± 0.001°
• γ: 90°
• Cell volume: 1000.1 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0238
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0492
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No