Information card for entry 2217320

Structure parameters

• Chemical name: catena-Poly[[nickel(II)-μ~3~-1,1-dicyanothene-2,2-dithiolato-κ^4^S,S':N:N'- bis[(15-crown-5)magnesium(II)]-μ~3~-1,1-dicyanoethene-2,2-dithiolato- κ^4^N:N':S,S'] dichloride]
• Formula: C28 H40 Cl2 Mg2 N4 Ni O10 S4
• Calculated formula: C28 H40 Cl2 Mg2 N4 Ni O10 S4
• SMILES: N#CC(=C1S[Ni]2(S1)SC(=C(C#N)C#N)S2)C#N.[Cl-].[Cl-].[Mg]1234[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5.[Mg]1234[O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5
• Title of publication: <i>catena</i>-Poly[[nickel(II)-μ~3~-1,1-dicyanoethene-2,2-dithiolato-κ^4^<i>S</i>,<i>S</i>':<i>N</i>:<i>N</i>'-bis[(15-crown-5)magnesium(II)]-μ~3~-1,1-dicyanoethene-2,2-dithiolato-κ^4^<i>N</i>:<i>N</i>':<i>S</i>,<i>S</i>'] dichloride]
• Authors of publication: Junli Yang; Chengjuan Li; Dacheng Li; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 1
• Pages of publication: m174 - m174
• a: 13.6227 ± 0.0016 Å
• b: 20.591 ± 0.003 Å
• c: 15.148 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4249.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1649
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes