Information card for entry 2004607

Structure parameters

• Chemical name: Tetrakis(triethylammonium) hexakis(isothiocyanato)-nickel(II)
• Formula: C30 H64 N10 Ni S6
• Calculated formula: C30 H64 N10 Ni S6
• SMILES: [NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.[NH+](CC)(CC)CC.C(=N[Ni](N=C=S)(N=C=S)(N=C=S)(N=C=S)N=C=S)=S
• Title of publication: Tetrakis(triethylammonium) Hexakis(isothiocyanato-<i>N</i>)nickel(II)
• Authors of publication: Kruger, P. E.; McKee, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 3
• Pages of publication: 617 - 619
• a: 12.575 ± 0.002 Å
• b: 13.42 ± 0.001 Å
• c: 13.53 ± 0.002 Å
• α: 93.64°
• β: 93.23°
• γ: 95.23°
• Cell volume: 2264.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 566 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0856
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections: 0.1638
• Weighted residual factors for significantly intense reflections: 0.1355
• Goodness-of-fit parameter for all reflections: 1.024
• Goodness-of-fit parameter for significantly intense reflections: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No