Information card for entry 7027087

Structure parameters

• Formula: C22 H32 Cl4 Nb2 O8 S2
• Calculated formula: C22 Cl4 Nb2 O8 S2
• SMILES: S1[Nb]234([O]=C(C)C=C(O4)C)(S[Nb]4512([O]=C(C)C=C(C)O4)[O]=C(C)C=C(O5)C)[O]=C(C)C=C(C)O3.ClCCl.C(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: 9 ± 0.02 Å
• b: 11.15 ± 0.03 Å
• c: 8.868 ± 0.006 Å
• α: 101.5 ± 0.1°
• β: 95.69 ± 0.1°
• γ: 73.3 ± 0.2°
• Cell volume: 834 ± 3 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.0778
• Goodness-of-fit parameter for significantly intense reflections: 3.9
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No