Information card for entry 4303360

Structure parameters

• Formula: C25 H19 N2 Ni O3 S10
• Calculated formula: C25 H19 N2 Ni O3 S10
• SMILES: C1(=S)SC2=C(S[Ni]3(S2)SC2=C(S3)SC(=S)S2)S1.c12ccccc1ccc[n+]2Cc1ccc(cc1)N(=O)=O.CC(=O)C
• Title of publication: Observation of Magnetic Bistability in Polymorphs of the [Ni(dmit)2]- Complexes
• Authors of publication: Shuangquan Zang; Xiaoming Ren; Yang Su; You Song; Wenjun Tong; Zhaoping Ni; Hanhua Zhao; Song Gao; Qingjin Meng
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9623 - 9630
• a: 7.337 ± 0.003 Å
• b: 13.616 ± 0.005 Å
• c: 15.137 ± 0.005 Å
• α: 106.398 ± 0.006°
• β: 95.967 ± 0.006°
• γ: 91.973 ± 0.007°
• Cell volume: 1439.6 ± 0.9 ų
• Cell temperature: 50 ± 2 K
• Ambient diffraction temperature: 50 ± 2 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 all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1127
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No