Information card for entry 2223105

Structure parameters

• Chemical name: 4,4'-Diazenediyldipyridinium 4-(4-pyridyldiazenyl)pyridinium octacyanidotungstate(V) dihydrate
• Formula: C28 H23 N16 O2 W
• Calculated formula: C28 H23 N16 O2 W
• SMILES: C(#N)[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.c1cc(ccn1)/N=N/c1cc[nH+]cc1.c1cc(cc[nH+]1)/N=N/c1cc[nH+]cc1.O.O
• Title of publication: 4,4'-Diazenediyldipyridinium 4-(4-pyridyldiazenyl)pyridinium octacyanidotungstate(V) dihydrate
• Authors of publication: Qian, Su-Yan; Liu, Wen-Yan; Yuan, Ai-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1031 - m1032
• a: 12.731 ± 0.0016 Å
• b: 16.499 ± 0.002 Å
• c: 30.704 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6449.3 ± 1.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes