Information card for entry 1517709

Structure parameters

• Formula: C26 H20 Ni P S10
• Calculated formula: C26 H20 Ni P S10
• SMILES: C1(=S)SC2=C(S1)S[Ni]1(S2)SC2=C(S1)SC(=S)S2.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)CC
• Title of publication: Magnetic dimer and tetramer based on dmit - Preparation, crystal structures, physicochemical characterization and magnetic properties
• Authors of publication: Lutong Jin; Xitao Liu; Xinqiang Wang; Luning Wang; Guanghui Zhang; Luyi Zhu, Dong Xu
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 404
• Pages of publication: 68 - 76
• a: 17.128 ± 0.0005 Å
• b: 10.0072 ± 0.0003 Å
• c: 22.2536 ± 0.0007 Å
• α: 90°
• β: 124.472 ± 0.002°
• γ: 90°
• Cell volume: 3144.55 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1184
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No