Information card for entry 2020938

Structure parameters

• Chemical name: Poly[[hexa-μ~2~-cyanido-κ^12^<i>C</i>:<i>N</i>-pentakis(μ~3~-tetrazolato-κ^3^<i>N</i>^1^:<i>N</i>^2^:<i>N</i>^4^)cobalt(III)tetracopper(II)] monohydrate]
• Formula: C11 H7 Co Cu4 N26 O
• Calculated formula: C11 H5 Co Cu4 N26
• Title of publication: A novel tetrazolate- and cyanide-bridged three-dimensional heterometallic coordination polymer: crystal structure, thermal stability and magnetic properties
• Authors of publication: Qin, Ying-Lian; Qin, Jian-Fang; Sun, Hong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 11
• Pages of publication: 968 - 974
• a: 12.3459 ± 0.0006 Å
• b: 15.9301 ± 0.0008 Å
• c: 14.7454 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2900 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes