Information card for entry 2219432

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[μ-cyanido-1:2κ^2^C:N-tricyanido-1κ^3^<i>C</i>- bis(ethylenediamine)-2κ^4^N,N'-copper(II)iron(II)]-μ-cyanido-κ^2^C:N- [bis(ethylenediamine-κ^2^N,N')copper(II)]-μ-cyanido-κ^2^N:C] 4.5-hydrate]
• Formula: C14 H41 Cu2 Fe N14 O4.5
• Calculated formula: C14 H41 Cu2 Fe N14 O4.5
• SMILES: C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.N#C[Fe](C#N)(C#N)(C#N)(C#N)C#N.C1C[NH2][Cu]2([NH2]1)[NH2]CC[NH2]2.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[μ-cyanido-1:2κ^2^<i>C</i>:<i>N</i>-tricyanido-1κ^3^<i>C</i>-bis(ethylenediamine)-2κ^4^<i>N</i>,<i>N</i>'-copper(II)iron(II)]-μ-cyanido-κ^2^<i>C</i>:<i>N</i>-[bis(ethylenediamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-cyanido-κ^2^<i>N</i>:<i>C</i>] 4.5-hydrate]
• Authors of publication: Liu, Hongling; Wang, Daqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1148 - m1149
• a: 13.481 ± 0.007 Å
• b: 13.497 ± 0.007 Å
• c: 31.069 ± 0.015 Å
• α: 90°
• β: 93.547 ± 0.008°
• γ: 90°
• Cell volume: 5642 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.1208
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes