Information card for entry 4511647

Structure parameters

• Formula: C16 H16 K3 N12 O8 W
• Calculated formula: C16 H16 K3 N12 O8 W
• SMILES: C(#N)[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[K+].[K+].O=n1ccn(cc1)=O.O.O.[K+].O=n1ccn(cc1)=O.O.O
• Title of publication: Role of Pyrazine-N,N′-dioxide in [W(CN)8]n−-Based Hybrid Networks: Anion−π Interactions
• Authors of publication: Podgajny, Robert; Pinkowicz, Dawid; Czarnecki, Bernard; Kozieł, Marcin; Chorąży, Szymon; Wis, Magdalena; Nitek, Wojciech; Rams, Michał; Sieklucka, Barbara
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 4030
• a: 21.579 ± 0.0001 Å
• b: 25.288 ± 0.0003 Å
• c: 9.788 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5341.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0215
• Residual factor for significantly intense reflections: 0.0195
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No