Information card for entry 1548150

Structure parameters

• Formula: C28 H36 F6 N8 Na2 O8
• Calculated formula: C28 H36 F6 N8 Na2 O8
• SMILES: [Na]12345([O](C)CC[O]1CC[O]2CC[O]3C)[F]C(F)(F)c1n4c(c(n1)C#N)C#[N][Na]1234([O](C)CC[O]1CC[O]2CC[O]3C)[F]C(F)(F)c1n4c(c(n1)C#N)C#[N]5
• Title of publication: Coordination Abilities of 4,5-Dicyano-2-(trifluoromethyl)imidazolate Anion toward Sodium Cation: Structural and Spectroscopic Studies of Solid and Liquid Glyme-Solvated Electrolyte Systems
• Authors of publication: Dranka, Maciej; Żukowska, Grażyna Z.; Jankowski, Piotr; Plewa-Marczewska, Anna; Trzeciak, Tomasz; Zachara, Janusz
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2017
• Journal volume: 121
• Journal issue: 48
• Pages of publication: 26713
• a: 9.3885 ± 0.0002 Å
• b: 10.2919 ± 0.0003 Å
• c: 10.7572 ± 0.0003 Å
• α: 82.713 ± 0.002°
• β: 67.371 ± 0.002°
• γ: 74.624 ± 0.002°
• Cell volume: 924.7 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0727
• Weighted residual factors for all reflections included in the refinement: 0.0756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No