Information card for entry 4328000

Structure parameters

• Formula: C24 H26 Cu2 N8 Ni O2
• Calculated formula: C24 H26 Cu2 N8 Ni O2
• SMILES: C(#[N][Cu]12[N](=Cc3c([O]1)cccc3)C[C@H]([NH2]2)C)[Ni](C#[N][Cu]12Oc3ccccc3C=[N]1C[C@@H]([NH2]2)C)(C#N)C#N
• Title of publication: Experimental Evidence and DFT Studies of Next-Nearest-Neighbor Magnetic Interactions through Diamagnetic 3d and 4d Ions
• Authors of publication: Jean-Pierre Costes; Carine Duhayon; Laure Vendier; Enrique Colacio; Antonio J. Mota Ávila; Jose Suárez Varela
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 1011 - 1019
• a: 6.9732 ± 0.0012 Å
• b: 7.7262 ± 0.0014 Å
• c: 11.9453 ± 0.0018 Å
• α: 80.228 ± 0.014°
• β: 82.644 ± 0.013°
• γ: 89.461 ± 0.014°
• Cell volume: 628.96 ± 0.19 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1676
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No