Information card for entry 2007047

Structure parameters

• Formula: C12 H24 Co I6 S6
• Calculated formula: C12 H24 Co I6 S6
• SMILES: C1C[S]2[Co]345([S]1CC[S]3CC2)[S]1CC[S]4CC[S]5CC1.I[I-]I.I[I-]I
• Title of publication: Bis(1,4,7-trithiacyclononane-<i>S</i>,<i>S</i>',<i>S</i>'')cobalt(II) Bis(triiodide)
• Authors of publication: Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 293 - 295
• a: 9.421 ± 0.002 Å
• b: 9.081 ± 0.002 Å
• c: 16.31 ± 0.004 Å
• α: 90°
• β: 98.14 ± 0.04°
• γ: 90°
• Cell volume: 1381.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.035
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No