Information card for entry 4002174

Structure parameters

• Formula: C32 H48 N Ni S8 Se4
• Calculated formula: C32 H48 N Ni S8 Se4
• SMILES: [Se]1C(=C([Se]C1=C1SC2=C(S1)S[Ni]1(S2)SC2SC(SC=2S1)=C1[Se]C(=C([Se]1)C)C)C)C.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: (nBu4N)[Ni(dmstfdt)2]: A Planar Nickel Coordination Complex with an Extended-TTF Ligand Exhibiting Metallic Conduction, Metal‒Insulator Transition, and Weak Ferromagnetism
• Authors of publication: Fujiwara, Emiko; Yamamoto, Kimiko; Shimamura, Mina; Zhou, Biao; Kobayashi, Akiko; Takahashi, Kazuyuki; Okano, Yoshinori; Cui, Hengbo; Kobayashi, Hayao
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 3
• Pages of publication: 553
• a: 19.541 ± 0.009 Å
• b: 8.661 ± 0.003 Å
• c: 26.66 ± 0.011 Å
• α: 90.715 ± 0.007°
• β: 110.509 ± 0.009°
• γ: 92.601 ± 0.007°
• Cell volume: 4220 ± 3 ų
• Cell temperature: 293.1 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: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No