Information card for entry 4336505

Structure parameters

• Formula: C30 H68 N2 Ni13 O0 S24
• Calculated formula: C30 H68 N2 Ni13 S24
• Title of publication: Unusual C-S Bond Cleavage in Hydro(solvo)thermal Reaction That Induces Two Novel Nickel Thiolates: The Crown [Ni16(edt)8S9(S2)]4- with an Unprecedented 12-Membered Ring System and the Cagelike [Ni13(edt)8S4(S2)2]2- with Two Distorted Cores
• Authors of publication: Hao Jiang; Tianlu Sheng; Songyan Bai; Shengmin Hu; Xin Wang; Ruibiao Fu; Peng Yu; Xintao Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12305 - 12307
• a: 34.08 ± 0.03 Å
• b: 10.485 ± 0.008 Å
• c: 18.72 ± 0.014 Å
• α: 90°
• β: 105.14 ± 0.02°
• γ: 90°
• Cell volume: 6457 ± 9 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.098
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2321
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No