Information card for entry 2018527

Structure parameters

• Chemical name: poly[bis(μ~3~-cyanido-κ^3^<i>N</i>:<i>C</i>:<i>C</i>)[μ~5~-5-(pyridin-4- yl)tetrazolato- κ^5^<i>N</i>:<i>N</i>':<i>N</i>'':<i>N</i>''':<i>N</i>'''']tricopper(I)]
• Formula: C8 H4 Cu3 N7
• Calculated formula: C8 H4 Cu3 N7
• Title of publication: The three-dimensional coordination network in poly[di-μ~3~-cyanido-μ~5~-[5-(pyridin-4-yl)tetrazolato]-tricopper(I)]
• Authors of publication: Meng, Gao-Xiang; Zhu, Jian-Hui; Feng, Ya-Min; Huang, Xin-Tang; Yang, He-Lin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m194 - m196
• a: 12.4823 ± 0.0019 Å
• b: 11.8834 ± 0.0018 Å
• c: 8.7986 ± 0.0013 Å
• α: 90°
• β: 129.467 ± 0.002°
• γ: 90°
• Cell volume: 1007.5 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes