Information card for entry 2102690

Structure parameters

• Formula: C12 H24 Co I11 S6
• Calculated formula: C12 H24 Co I11 S6
• SMILES: C1C[S]2CC[S]3CC[S]1[Co]1423[S]2CC[S]1CC[S]4CC2.I[I-]I.I[I-]I.II.I[I-]I
• Title of publication: Extended structures of polyiodide salts of transition metal macrocyclic complexes
• Authors of publication: Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Parsons, Simon; Schröder, Martin
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: 81 - 92
• a: 15.156 ± 0.002 Å
• b: 17.772 ± 0.004 Å
• c: 13.106 ± 0.006 Å
• α: 90°
• β: 96.67 ± 0.02°
• γ: 90°
• Cell volume: 3506.2 ± 1.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes