Information card for entry 4336504

Structure parameters

• Formula: C40 H96 N4 Ni16 O0 S27
• Calculated formula: C40 H92 N4 Ni16 S27
• 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: 11.499 ± 0.01 Å
• b: 12.749 ± 0.012 Å
• c: 13.922 ± 0.013 Å
• α: 94.533 ± 0.011°
• β: 90.21 ± 0.02°
• γ: 92.358 ± 0.015°
• Cell volume: 2033 ± 3 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 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: 0.0934
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No