Information card for entry 2020537

Structure parameters

• Chemical name: Poly[[diaquatetra-μ~2~-cyanido-κ^8^<i>C</i>:<i>N</i>-copper(II)nickel(II)] monohydrate]
• Formula: C4 H6 Cu N4 Ni O3
• Calculated formula: C4 H6 Cu N4 Ni O3
• Title of publication: A cyanide-bridged heterometallic coordination polymer constructed from square-planar [Ni(CN)4](2-): synthesis, crystal structure, thermal decomposition, electron paramagnetic resonance (EPR) spectrum and magnetic properties.
• Authors of publication: Qin, Ying Lian; Yang, Bin Wu; Wang, Gao Feng; Sun, Hong
• Journal of publication: Acta Crystallographica, Section C: Structural Chemistry
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 7
• Pages of publication: 555 - 560
• a: 14.1746 ± 0.0007 Å
• b: 7.0724 ± 0.0004 Å
• c: 8.894 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 891.61 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes