Information card for entry 2007580

Structure parameters

• Chemical name: Tetraethylammonium (1-Pyrrolidinecarbodithioate-S,S')(tetrathiotungstenio-S,S')-nickelate(1-)
• Formula: C13 H28 N2 Ni S6 W
• Calculated formula: C13 H28 N2 Ni S6 W
• SMILES: [W]12([Ni]3(S1)(S2)[S]=C(N1CCCC1)S3)(=S)=S.[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium (1-Pyrrolidinecarbodithioato-<i>S</i>,<i>S</i>')(tetrathiotungstenio-<i>S</i>,<i>S</i>')nickelate(1 ‒)
• Authors of publication: De-Liang Long; Qing-Hua Wang; Jin-Shun Huang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1251 - 1253
• a: 13.61 ± 0.004 Å
• b: 8.286 ± 0.001 Å
• c: 19.848 ± 0.004 Å
• α: 90°
• β: 93.74 ± 0.02°
• γ: 90°
• Cell volume: 2233.5 ± 0.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.047
• Goodness-of-fit parameter for significantly intense reflections: 0.69
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No