Information card for entry 4310078

Structure parameters

• Chemical name: mu4-sulfo-tetrakis(mu2,hapta2-disulfo)-octabromo-tetratantalum(IV,V)
• Formula: Br8 S9 Ta4
• Calculated formula: Br8 S9 Ta4
• SMILES: S123[Ta]456([S]7[S]5[Ta]537([S]3[S]5[Ta]513([S]1[S]5[Ta]321([S]4[S]63)(Br)Br)(Br)Br)(Br)Br)(Br)Br
• Title of publication: Synthesis and Structure of Ta4S9Br8. An Emergent Family of Early Transition Metal Chalcogenide Clusters
• Authors of publication: Maxim N. Sokolov; Artem L. Gushchin; Pavel A. Abramov; Alexandr V. Virovets; Eugenia V. Peresypkina; Svetlana G. Kozlova; Boris A. Kolesov; Cristian Vicent; Vladimir P. Fedin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8756 - 8761
• a: 12.765 ± 0.005 Å
• b: 12.765 ± 0.005 Å
• c: 6.966 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1135.1 ± 0.9 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 107
• Hermann-Mauguin space group symbol: I 4 m m
• Hall space group symbol: I 4 -2
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No