Information card for entry 1512462

Structure parameters

• Common name: cluster of mercury and tellurium
• Chemical name: Diphenyl ditelluride iodide mercury (II) complex . pyridine
• Formula: C87 H75 Hg8 I2 N3 S Te12
• Calculated formula: C87 H75 Hg8 I2 N3 S Te12
• SMILES: [n]1(ccccc1)[Hg]12[Te](c3ccccc3)[Hg]34[Te](c5ccccc5)[Hg]5([Te](c6ccccc6)[Hg]6(S73[Hg]3([Te]5c5ccccc5)[Te](c5ccccc5)[Hg]([Te]6c5ccccc5)([Te](c5ccccc5)[Hg]7([Te]2c2ccccc2)[Te](c2ccccc2)[Hg]([n]2ccccc2)([Te]4c2ccccc2)[Te]3c2ccccc2)I)[Te]1c1ccccc1)I.n1ccccc1
• Title of publication: A facile preparation of two new isostructural metal-organochalcogen clusters from simple starting materials: Sonochemical synthesis, X-ray structures and spectroscopic remarks
• Authors of publication: Maisy I.P.R. Modestoa; Simone Finotoa; Gleison Antonio Casagrandea; Cristiano Raminellib; Ernesto Schulz Langc; Davi F. Backc; Samuel Leite Oliveirad; Marco Antonio U. Martines
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 103 - 107
• a: 30.0591 ± 0.0015 Å
• b: 13.9742 ± 0.0006 Å
• c: 27.4368 ± 0.0013 Å
• α: 90°
• β: 113.487 ± 0.002°
• γ: 90°
• Cell volume: 10570 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.0697
• Weighted residual factors for significantly intense reflections: 0.1193
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No