Information card for entry 7708955

Structure parameters

• Formula: C44 H44 N14 O2 W
• Calculated formula: C44 H44 N14 O2 W
• SMILES: [W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[nH+]1c(c2nccc(c2)C)cc(cc1)C.[nH+]1c(c2nccc(c2)C)cc(cc1)C.[nH+]1c(c2nccc(c2)C)cc(cc1)C.[OH3+].O
• Title of publication: Anion–cation interactions in a series of salts with substituted Hphen, Hbpy and H2bpy cations and [W(CN)8]4− anion: polymer with “super-short” N–H⋯N hydrogen bridges containing exclusively anions and H+
• Authors of publication: Jurowska, Anna; Hodorowicz, Maciej; Kruczała, Krzysztof; Szklarzewicz, Janusz
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 17.3221 ± 0.0001 Å
• b: 10.9893 ± 0.0001 Å
• c: 22.6042 ± 0.0001 Å
• α: 90°
• β: 90.158 ± 0.001°
• γ: 90°
• Cell volume: 4302.87 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0293
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No