Information card for entry 2205908

Structure parameters

• Chemical name: Tetraethylammonium bis(benzene-1,2-dithiolato)(2-disulfanylbenzenethiolato)niobate
• Formula: C26 H32 N Nb S7
• Calculated formula: C26 H32 N Nb S7
• SMILES: [Nb]123(Sc4c(S1)cccc4)(Sc1c(S2)cccc1)Sc1c(SS3)cccc1.[N+](CC)(CC)(CC)CC
• Title of publication: Tetraethylammonium bis(benzene-1,2-dithiolato)(2-disulfanylbenzenethiolato)niobate
• Authors of publication: Petrov, Pavel A.; Kuratieva, Natalia V.; Naumov, Dmitry Yu.; Konchenko, Sergei N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1138 - m1139
• a: 10.8255 ± 0.0003 Å
• b: 17.9119 ± 0.0005 Å
• c: 15.0647 ± 0.0004 Å
• α: 90°
• β: 90.423 ± 0.001°
• γ: 90°
• Cell volume: 2921.05 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No