Information card for entry 7241967

Structure parameters

• Formula: C16 H8 K2 N8 O3 W
• Calculated formula: C16 H8 K2 N8 O3 W
• Title of publication: X-ray crystal structures of K+ and Rb+ salts of [W(CN)6(bpy)]2− ion. The unusual cation‒anion interactions and structure changes going from Li+ to Cs+ salts
• Authors of publication: Hodorowicz, Maciej; Jurowska, Anna; Szklarzewicz, Janusz
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 1207 - 1217
• a: 8.4996 ± 0.0002 Å
• b: 9.2127 ± 0.0002 Å
• c: 14.357 ± 0.0003 Å
• α: 89.638 ± 0.002°
• β: 86.389 ± 0.002°
• γ: 68.804 ± 0.002°
• Cell volume: 1045.92 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No