Information card for entry 7027089

Structure parameters

• Formula: C22 H42 Cl6 N4 Nb2 S8 Se4
• Calculated formula: C22 H42 Cl6 N4 Nb2 S8 Se4
• SMILES: [Nb]12345([S]=C(N(CC)CC)S3)([S]=C(N(CC)CC)S1)[Se]1[Nb]367([S]=C(N(CC)CC)S3)([S]=C(N(CC)CC)S7)([Se]41)[Se]5[Se]26.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Substitution of bridging S2 ligands in the [Nb2(μ-S2)2]4+ core: a simple route to [Nb2(Se2)2]4+, [Nb2(S)(Te2)]4+ and [Nb2(S)2]4+
• Authors of publication: Sokolov, Maxim; Imoto, Hideo; Saito, Taro; Fedorov, Vladimir
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 85
• a: 10.899 ± 0.005 Å
• b: 12.42 ± 0.01 Å
• c: 17.406 ± 0.005 Å
• α: 90°
• β: 104.25 ± 0.03°
• γ: 90°
• Cell volume: 2284 ± 2 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.0488
• Goodness-of-fit parameter for significantly intense reflections: 2.534
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No