Information card for entry 2102694

Structure parameters

• Formula: C12 H23 I10 N Pd S4
• Calculated formula: C12 H23 I10 N Pd S4
• SMILES: C1[S]2CCC[S]3CC[S]4[Pd]23[S](CCC4)C1.II.I[I-]I.I[I-]I.II.C(#N)C
• 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: 9.336 ± 0.004 Å
• b: 11.504 ± 0.004 Å
• c: 16.431 ± 0.003 Å
• α: 85.49 ± 0.03°
• β: 81.2 ± 0.03°
• γ: 86.93 ± 0.03°
• Cell volume: 1737 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.29
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes