Information card for entry 4312976

Structure parameters

• Formula: C40 H32 B2 Cu3 F8 N12
• Calculated formula: C40 H32 B2 Cu3 F8 N12
• SMILES: [Cu]1234([Cu]5678[Cu]([n]9c(N5c5[n]1cccc5)cccc9)([n]1c(N6c5[n]2cccc5)cccc1)([n]1c(N7c2[n]3cccc2)cccc1)([n]1c(N8c2[n]4cccc2)cccc1)[F][B](F)(F)F)[F][B](F)(F)F
• 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: 14.3757 ± 0.0017 Å
• b: 16.794 ± 0.002 Å
• c: 17.694 ± 0.002 Å
• α: 90°
• β: 103.05 ± 0.002°
• γ: 90°
• Cell volume: 4161.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0669
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1323
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No