Information card for entry 2009287

Structure parameters

• Common name: Cu NH3 Ni(CN)4, 23611
• Chemical name: decaammine-5k^3^N,6k^2^N,7k^2^N,8k^3^N-octa-m-cyano-1:5k^2^C:N;1:6k^2^C:N; 2:6k^2^C:N;2:7k^2^C:N;3:6k^2^C:N;3:7k^2^C:N;4:7k^2^C:N;4:8k^2^C:N-octacyano- 1k^2^C,2k^2^C,3k^2^C,4k^2^C-tetracopper(II)tetranickel(II)
• Formula: C16 H36 Cu4 N28 Ni4
• Calculated formula: C16 H36 Cu4 N28 Ni4
• SMILES: [Cu]([NH3])([NH3])([NH3])([NH3])[N]#C[Ni](C#[N][Cu]1([NH3])([NH3])[N]#C[Ni](C#[N][Cu]([NH3])([NH3])([N]#C[Ni](C#N)(C#[N][Cu]([NH3])([NH3])([NH3])[NH3])C#N)[N]#C[Ni](C#[N]1)(C#N)C#N)(C#N)C#N)(C#N)C#N
• Title of publication: A molecular tetraamminecopper(II)-<i>trans</i>-diamminecopper(II) tetracyanonickelate(II) coordination compound
• Authors of publication: Janiak, Christoph; Wu, He-Ping; Klüfers, Peter; Mayer, Peter
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 12
• Pages of publication: 1966 - 1969
• a: 16.8265 ± 0.0013 Å
• b: 15.7626 ± 0.0013 Å
• c: 7.2886 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1933.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections included in the refinement: 0.073
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes