Information card for entry 7026269

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: 8.334 ± 0.004 Å
• b: 14.025 ± 0.006 Å
• c: 16.325 ± 0.009 Å
• α: 109.876 ± 0.02°
• β: 95.93 ± 0.02°
• γ: 90.928 ± 0.018°
• Cell volume: 1782.2 ± 1.5 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0326
• Weighted residual factors for all reflections included in the refinement: 0.043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No