Information card for entry 2017167

Structure parameters

• Chemical name: <i>catena</i>-poly[[bis[(triazacyclononane-κ^3^N,N',N'')copper(II)]- di-μ-cyanido-κ^4^N:C-palladate(II)-di-μ-cyanido-κ^4^C:N] dibromide bis[[(triazacyclononane-κ^3^N,N',N'')copper(II)]-μ-cyanido-κ^2^N:C- [dicyanidopalladate(II)]-μ-cyanido-κ^2^C:N] monohydrate]
• Formula: C36 H62 Br2 Cu4 N24 O Pd3
• Calculated formula: C36 H60 Br2 Cu4 N24 O Pd3
• Title of publication: Two different one-dimensional structural motifs in [<i>catena</i>-{Cu(tacn)}~2~Pd(CN)~4~]Br~2~·[<i>catena</i>-Cu(tacn)Pd(CN)~4~]~2~·H~2~O (tacn is 1,4,7-triazacyclononane)
• Authors of publication: Kuchár, Juraj; Černák, Juraj
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m246 - m249
• a: 7.3214 ± 0.0008 Å
• b: 12.9466 ± 0.0014 Å
• c: 14.5178 ± 0.0016 Å
• α: 83.699 ± 0.009°
• β: 84.378 ± 0.009°
• γ: 82.878 ± 0.009°
• Cell volume: 1352.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No