Information card for entry 7050000

Structure parameters

• Formula: C8 H11 N8 Ni2 O
• Calculated formula: C8 H9 N8 Ni2 O
• Title of publication: 2D and 3D coordination polymers based on 2,2′-bipyrimidine and cyanide bridging ligands incorporating coordinated and guest ammonia molecules. Synthesis, crystal structures, magnetic properties and thermal analysis of {[Ni(CN)4]2[(Ni(NH3)2)2(bpym)]·2H2O}n and {[Cu2(CN)2(bpym)]·NH3}n
• Authors of publication: Colacio, Enrique; Lloret, Francesc; Navarrete, Miguel; Romerosa, Antonio; Stoeckli-Evans, Helen; Suarez-Varela, José
• Journal of publication: New Journal of Chemistry
• Year of publication: 2005
• Journal volume: 29
• Journal issue: 9
• Pages of publication: 1189
• a: 9.121 ± 0.0008 Å
• b: 11.469 ± 0.001 Å
• c: 13.561 ± 0.0012 Å
• α: 90°
• β: 104.623 ± 0.002°
• γ: 90°
• Cell volume: 1372.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.877
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No