Information card for entry 4312975

Structure parameters

• Formula: C44 H42 Cl2 Cu3 N12 O
• Calculated formula: C44 H42 Cl2 Cu3 N12 O
• SMILES: [Cu]1234([Cu]5678[Cu](Cl)([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)[n]1c(N8c2[n]4cccc2)cccc1)Cl.O(CC)CC
• Title of publication: Further Structural and Magnetic Studies of Tricopper Dipyridylamido Complexes
• Authors of publication: John F. Berry; F. Albert Cotton; Peng Lei; Carlos A. Murillo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 377 - 382
• a: 15.9887 ± 0.0009 Å
• b: 15.7321 ± 0.0005 Å
• c: 16.9933 ± 0.0008 Å
• α: 90°
• β: 99.24 ± 0.004°
• γ: 90°
• Cell volume: 4219 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for all reflections: 0.1231
• Weighted residual factors for significantly intense reflections: 0.1121
• Goodness-of-fit parameter for all reflections: 1.076
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No