Information card for entry 4303358

Structure parameters

• Formula: C22 H13 N2 Ni O2 S10
• Calculated formula: C22 H13 N2 Ni O2 S10
• SMILES: [Ni]12(SC3SC(=S)SC=3S2)SC2SC(=S)SC=2S1.c12ccccc1ccc[n+]2Cc1ccc(cc1)N(=O)=O
• 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: 17.496 ± 0.004 Å
• b: 10.956 ± 0.003 Å
• c: 14.69 ± 0.004 Å
• α: 90°
• β: 99.611 ± 0.005°
• γ: 90°
• Cell volume: 2776.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0651
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No