Information card for entry 2014061

Structure parameters

• Chemical name: catena-poly[[di-μ-azido-κ^4^N^1^:N^1^-bis[[bis(3-aminopropyl)methylamine- κ^3^N]copper(II)]]-μ-cyano-[dicyanonickel(II)]-μ-cyano]
• Formula: C18 H38 Cu2 N16 Ni
• Calculated formula: C18 H38 Cu2 N16 Ni
• SMILES: C1CC[N]2(C)CCC[NH2][Cu]2([NH2]1)(N=N#N)[N]#C[Ni](C#N)(C#[N][Cu]12(N=N#N)[NH2]CCC[N]2(C)CCC[NH2]1)C#N
• Title of publication: A heterometallic polymeric complex: [Cu~2~(N~3~)~2~(medpt)~2~{Ni(CN)~4~}]~<i>n~</i> [medpt is bis(3-aminopropyl)methylamine]
• Authors of publication: Ghoshal, Debajyoti; Maji, Tapas Kumar; Rosair, Georgina; Mostafa, Golam
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: m212 - m214
• a: 7.4094 ± 0.0009 Å
• b: 14.5472 ± 0.0016 Å
• c: 12.8512 ± 0.0019 Å
• α: 90°
• β: 97.757 ± 0.011°
• γ: 90°
• Cell volume: 1372.5 ± 0.3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes