Information card for entry 2022083

Structure parameters

• Chemical name: Poly[2-hydroxy-<i>N</i>-methylethan-1-aminium [μ~3~-cyanido-κ^3^<i>C</i>:<i>C</i>:<i>N</i>-di-μ-cyanido-κ^4^<i>C</i>:<i>N</i>-dicuprate(I)]]
• Formula: C6 H10 Cu2 N4 O
• Calculated formula: C6 H10 Cu2 N4 O
• Title of publication: Synthesis, decomposition studies and crystal structure of a three-dimensional CuCN network structure with protonated <i>N</i>-methylethanolamine as the guest cation
• Authors of publication: Koenigsmann, Christopher; Rachid, Leena N.; Sheedy, Christina M.; Corfield, Peter W. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• a: 8.8994 ± 0.0005 Å
• b: 8.8994 ± 0.0005 Å
• c: 11.375 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 900.89 ± 0.11 ų
• Cell temperature: 303 ± 1 K
• Ambient diffraction temperature: 303 ± 1 K
• Number of distinct elements: 5
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0483
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes