Information card for entry 7708957

Structure parameters

• Formula: C20 H20 N10 O2 W
• Calculated formula: C20 H20 N10 O2 W
• SMILES: [W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)(C#N)C#N.[OH3+].O.[nH+]1c(c2[nH+]c(ccc2)C)cccc1C
• 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: 15.3579 ± 0.0001 Å
• b: 14.2995 ± 0.0001 Å
• c: 20.5069 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4503.53 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.98 ± 0.13 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No