Information card for entry 4331681

Structure parameters

• Formula: C6 H10 Ni S4
• Calculated formula: C6 H10 Ni S4
• SMILES: C1(CC)=[S][Ni]234[Ni](S1)([S]=C(CC)S2)(SC(CC)=[S]3)[S]=C(CC)S4
• Title of publication: Synthesis of a One-Dimensional Metal-Dimer Assembled System with Interdimer Interaction, M2(dtp)4(M = Ni, Pd; dtp = Dithiopropionato)
• Authors of publication: Kobayashi, Atsushi; Kojima, Takahiko; Ikeda, Ryuichi; Kitagawa, Hiroshi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 322 - 327
• a: 12.944 ± 0.0013 Å
• b: 12.944 ± 0.0013 Å
• c: 6.1728 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1034.2 ± 0.3 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No