Information card for entry 4312159

Structure parameters

• Chemical name: mu4-seleno-tetrakis(mu2,hapta2-diseleno)-octaiodo-tetratantalum(IV,V)
• Formula: I8 Se9 Ta4
• Calculated formula: I8 Se9 Ta4
• SMILES: [Ta]1234([Se]5[Se]3[Ta]536([Se]5[Se]3[Ta]537([Se]5[Se]3[Ta]53([Se]4[Se]13)([Se]267)(I)I)(I)I)(I)I)(I)I
• Title of publication: Synthesis and Characterization of a Novel Tantalum Chalcogen-Rich Molecular Cluster with Square Planar Metal Core
• Authors of publication: Maxim N. Sokolov; Artyom L. Gushchin; Alexandr V. Virovets; Eugenia V. Peresypkina; Svetlana G. Kozlova; Vladimir P. Fedin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7966 - 7968
• a: 14.3251 ± 0.0004 Å
• b: 14.844 ± 0.0005 Å
• c: 13.0603 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2777.17 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0193
• Residual factor for significantly intense reflections: 0.0168
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No