Information card for entry 4302892

Structure parameters

• Common name: Tetrabutylammonium hexathiocyanato nickalate(II)
• Chemical name: Tetraethylammonium hexathiocyanato nickalate(II)
• Formula: C38 H80 N10 Ni S6
• Calculated formula: C38 H80 N10 Ni S6
• Title of publication: Color Properties and Structural Phase Transition in Penta- And Hexacoordinate Isothiocyanato Ni(II) Compounds
• Authors of publication: T. V. Brinzari; C. Tian; G. J. Halder; J. L. Musfeldt; M.-H. Whangbo; J. A. Schlueter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7650 - 7658
• a: 18.973 ± 0.002 Å
• b: 21.05 ± 0.003 Å
• c: 38.715 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15462 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.1123
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No