Information card for entry 7024715

Structure parameters

• Formula: C32 H43 F N Ni O6 S10
• Calculated formula: C32 H43 F N Ni O6 S10
• SMILES: [Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.Fc1cccc([NH3+])c1.O1CCOCCO[C@H]2CCCC[C@H]2OCCOCCO[C@H]2CCCC[C@@H]12
• Title of publication: Ferromagnetic coupling of [Ni(dmit)2]- anions in (m-fluoroanilinium)(dicyclohexano[18]crown-6)[Ni(dmit)2].
• Authors of publication: Akutagawa, Tomoyuki; Sato, Daisuke; Ye, Qiong; Noro, Shin-ichiro; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 9
• Pages of publication: 2191 - 2193
• a: 12.4557 ± 0.001 Å
• b: 12.7411 ± 0.0009 Å
• c: 14.2746 ± 0.001 Å
• α: 94.509 ± 0.002°
• β: 104.813 ± 0.002°
• γ: 105.509 ± 0.002°
• Cell volume: 2083.9 ± 0.3 ų
• Cell temperature: 296.1 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No