Information card for entry 1517620

Structure parameters

• Formula: C18 H20 N8 O6 Zn
• Calculated formula: C18 H20 N8 O6 Zn
• SMILES: [Zn]12([n]3ccc(c4cc[n](cc4)[Zn]45([n]6ccc(c7ccncc7)cc6)([NH]=C(C(=N4=O)C#N)OC)[NH]=C(C(=N5=O)C#N)OC)cc3)([NH]=C(C(=N2=O)C#N)OC)[NH]=C(C(=N1=O)C#N)OC.O.O.O.O
• Title of publication: Coordination polymers of transition metals derived from the in situ nucleophilic addition of alcohols to dicyanonitrosomethanide [C(CN)2(NO)]-
• Authors of publication: Mohd. R. Razali; Aron Urbatsch; Glen B. Deacon; Stuart R. Batten
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 403
• Pages of publication: 120 - 126
• a: 12.7151 ± 0.0012 Å
• b: 29.843 ± 0.003 Å
• c: 11.5626 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4387.5 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No