Information card for entry 4331344

Structure parameters

• Formula: C42 H77 N14 Ni4 P13 S36
• Calculated formula: C42 H77 N14 Ni4 P13 S36
• Title of publication: Ionothermal Synthesis of Four New Nickel Thiophosphate Anions: [Ni(P2S8)2]2-, [Ni(P3S9)(P2S8)]3-, [Ni(P3S9)2]4-, and [(NiP3S8)4(PS4)]7-
• Authors of publication: Jason A. Cody; Kenneth B. Finch; Gilbert J. Reynders; Grant C. B. Alexander; Hyung G. Lim; Christian Näther; Wolfgang Bensch
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 13357 - 13362
• a: 10.5512 ± 0.0007 Å
• b: 16.0948 ± 0.001 Å
• c: 32.066 ± 0.002 Å
• α: 100.936 ± 0.008°
• β: 91.108 ± 0.008°
• γ: 105.42 ± 0.007°
• Cell volume: 5140.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1433
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 0.862
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No