Information card for entry 4300063

Structure parameters

• Formula: C16 H40 Br6 Mo3 N2 S7
• Calculated formula: C16 H40 Br6 Mo3 N2 S7
• SMILES: [Mo]123456([Mo]789%10([Mo]%11%121(Br)(Br)([S]27)([S]9[S]%10%11)[S]5[S]6%12)(Br)(Br)[S]3[S]48)(Br)Br.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC
• Title of publication: Reactivity of the [Mo3(μ3-S)(μ2-S2)3Br6]2- Anion toward the Imidodiphosphinochalcogenido Ligands [N(QPPh2)2]- (Q = S, Se): Synthesis and Characterization of [Mo3(μ3-S)(μ2-S2)3{N(QPPh2)2}3]Br
• Authors of publication: Virginie Béreau; Christopher G. Pernin; James A. Ibers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 854 - 856
• a: 18.928 ± 0.013 Å
• b: 12.769 ± 0.009 Å
• c: 29.5 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7130 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No