Information card for entry 1517619

Structure parameters

• Formula: C24 H32 N8 Ni O6
• Calculated formula: C24 H32 N8 Ni O6
• SMILES: [Ni]12([n]3ccc(c4cc[n](cc4)[Ni]45([n]6ccc(c7ccncc7)cc6)([NH]=C(C(=N4=O)C#N)OCC)[NH]=C(C(=N5=O)C#N)OCC)cc3)([NH]=C(C(=N2=O)C#N)OCC)[NH]=C(C(=N1=O)C#N)OCC.OCC.OCC.OCC.OCC
• 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: 16.096 ± 0.003 Å
• b: 11.352 ± 0.002 Å
• c: 16.663 ± 0.003 Å
• α: 90°
• β: 116.4 ± 0.03°
• γ: 90°
• Cell volume: 2727.2 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0609
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71082 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No