Information card for entry 4300219

Structure parameters

• Formula: C18 H26 N2 Ni O4 Rb S10
• Calculated formula: C18 N2 Ni O4 Rb S10
• SMILES: [Rb]12345[O]6CC[O]1CC[NH]2CC[O]3CC[O]4CC[NH]5CC6.[Ni]12(SC3=C(S1)SC(=S)S3)SC1=C(SC(=S)S1)S2
• Title of publication: One-Dimensional Antiferromagnetic Chain in [Ni(dmit)2]- Salts of [K+ or Rb+(4,13-diaza-18-crown-6)] Supramolecular Cation
• Authors of publication: Nobuhiro Takamatsu; Tomoyuki Akutagawa; Tatsuo Hasegawa; Takayoshi Nakamura; Tamotsu Inabe; Wataru Fujita; Kunio Awaga
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 870 - 871
• a: 8.815 ± 0.005 Å
• b: 11.04 ± 0.02 Å
• c: 8.51 ± 0.01 Å
• α: 107.8 ± 0.1°
• β: 97.53 ± 0.09°
• γ: 91.5 ± 0.1°
• Cell volume: 779.8 ± 1.8 ų
• Cell temperature: 296.2 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: 0.0578
• Weighted residual factors for all reflections included in the refinement: 0.0686
• Goodness-of-fit parameter for all reflections included in the refinement: 5.564
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No