Information card for entry 7208359

Structure parameters

• Formula: C34.5 H31.7 F N5.25 Ni O6 S4
• Calculated formula: C34.5 H30.875 F N5.25 Ni O6 S4
• Title of publication: Cation‒anion packing and molecular motion in (m-fluoroanilinium)(dibenzo[18]crown-6)[Ni(mnt)2]−(CH3CN)0.25 crystals
• Authors of publication: Takahashi, Kiyonori; Hoshino, Norihisa; Kubo, Kazuya; Nakamura, Takayoshi; Akutagawa, Tomoyuki
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 16
• Pages of publication: 5235
• a: 14.3036 ± 0.0007 Å
• b: 21.7219 ± 0.001 Å
• c: 25.5475 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7937.6 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No