Information card for entry 7027086

Structure parameters

• Formula: C20 H40 N4 Nb2 S12
• Calculated formula: C20 H40 N4 Nb2 S12
• SMILES: C1(=[S][Nb]23456(S1)([S]1[S]3[Nb]37861([S]2[S]43)([S]=C(N(CC)CC)S7)SC(=[S]8)N(CC)CC)[S]=C(N(CC)CC)S5)N(CC)CC
• 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: 24.01 ± 0.003 Å
• b: 6.957 ± 0.004 Å
• c: 21.172 ± 0.002 Å
• α: 90°
• β: 94.46 ± 0.009°
• γ: 90°
• Cell volume: 3526 ± 2 ų
• Cell temperature: 295.2 K
• Ambient diffraction temperature: 295.2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0269
• Goodness-of-fit parameter for significantly intense reflections: 1.375
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No