Information card for entry 7026268

Structure parameters

• Formula: C24 H33 N2 Ni O6 S10
• Calculated formula: C24 H33 N2 Ni O6 S10
• SMILES: [Ni]12(SC3SC(=S)SC=3S1)SC1SC(=S)SC=1S2.O1CCOCCOCCOCCOCCOCC1.[NH3+]c1cc(N)ccc1
• Title of publication: [18]Crown-6 rotator in spin-ladder compound of m-aminoanilinium([18]crown-6)[Ni(dmit)2]-.
• Authors of publication: Akutagawa, Tomoyuki; Sato, Daisuke; Ye, Qiong; Endo, Toru; Noro, Shin-ichiro; Takeda, Sadamu; Nakamura, Takayoshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8219 - 8227
• a: 8.2754 ± 0.0006 Å
• b: 14.031 ± 0.001 Å
• c: 16.2836 ± 0.001 Å
• α: 110.176 ± 0.0017°
• β: 95.932 ± 0.002°
• γ: 91.287 ± 0.002°
• Cell volume: 1761.8 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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 significantly intense reflections: 0.0361
• Weighted residual factors for all reflections included in the refinement: 0.0424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No