Information card for entry 4325722

Structure parameters

• Formula: C24 H28 B Cu F4 N5 O6
• Calculated formula: C24 H28 B Cu F4 N5 O6
• SMILES: [B](F)(F)(F)[F-].[C@@]12([C@@H]3c4cccc[n]4[Cu]45(C#N)[n]6c([C@H]([C@](C[N]5(C1)C)(C2(O)O)C(=O)OC)[N]34C)cccc6)C(=O)OC
• Title of publication: Cyano-bridged Homodinuclear Copper(II) Complexes
• Authors of publication: Mihail Atanasov; Peter Comba; Graeme R. Hanson; Sascha Hausberg; Stefan Helmle; Hubert Wadepohl
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 6890 - 6901
• a: 9.1823 ± 0.0018 Å
• b: 11.544 ± 0.002 Å
• c: 14.416 ± 0.003 Å
• α: 93.71 ± 0.03°
• β: 95.65 ± 0.03°
• γ: 109.51 ± 0.03°
• Cell volume: 1425.6 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No