Information card for entry 7050144

Structure parameters

• Formula: C20 H36 Cu N8 Ni
• Calculated formula: C20 H36 Cu N8 Ni
• SMILES: C1C[NH]2[Cu]34([N]#C[Ni](C#N)(C#N)C#N)[NH](C(C[C@@H]([NH]14)C)(C)C)CC[NH]3[C@H](CC2(C)C)C.C1C[NH]2[Cu]34([N]#C[Ni](C#N)(C#N)C#N)[NH](C(C[C@H]([NH]14)C)(C)C)CC[NH]3[C@@H](CC2(C)C)C
• Title of publication: Synthesis, crystal structure, EPR and magnetic properties of a cyano-bridged Cuii?Niii heterobimetallic complex: an unusual structure with long-range ferromagnetic exchange through hydrogen bonding
• Authors of publication: Ali, Mahammad; Ray, Ambarish; Sheldrick, William S.; Mayer-Figge, H.; Gao, Song; Sahmes, Alexander I.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 412
• a: 15.14 ± 0.009 Å
• b: 12.002 ± 0.004 Å
• c: 14.286 ± 0.005 Å
• α: 90°
• β: 115.62 ± 0.04°
• γ: 90°
• Cell volume: 2341 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No