Information card for entry 7223628

Structure parameters

• Chemical name: Ni3
• Formula: C18 H42 N24 Ni3 O6 S6
• Calculated formula: C18 H42 N24 Ni3 O6 S6
• SMILES: c1(n2[n](c(n1)[NH3+])[Ni]1(n3c([NH3+])nc([n]3[Ni]342([n]2c(nc(n12)[NH3+])SC)n1c(nc([n]1[Ni]([n]1c(nc(n31)SC)[NH3+])(n1c(nc(SC)[n]41)[NH3+])(O)(O)O)[NH3+])SC)SC)(O)(O)O)SC
• Title of publication: A sensitive hydrazine hydrate sensor based on mercaptomethyl-terminated trinuclear Ni(II) complex modified gold electrode
• Authors of publication: Gu, Xuefang; Li, Xian; Wu, Sijie; Shi, Jian; Jiang, Guoqing; Jiang, Guomin; Tian, Shu
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 19.7049 ± 0.0017 Å
• b: 14.179 ± 0.0012 Å
• c: 23.48 ± 0.002 Å
• α: 90°
• β: 105.644 ± 0.005°
• γ: 90°
• Cell volume: 6317.2 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.141
• Residual factor for significantly intense reflections: 0.1161
• Weighted residual factors for significantly intense reflections: 0.3246
• Weighted residual factors for all reflections included in the refinement: 0.3421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.242
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No