Information card for entry 2011333

Structure parameters

• Common name: Bis-(12-Krone-4)-cadmium-bispentaiodid
• Chemical name: Bis-(1,3,5,7-Tetraoxacyclododecan)-cadmium-bis-pentaiodid
• Formula: C16 H32 Cd I10 O8
• Calculated formula: C16 H32 Cd I10 O8
• SMILES: C1C[O]2CC[O]3[Cd]45672([O]1CC[O]6CC3)[O]1CC[O]4CC[O]5CC[O]7CC1.[I-](I)I.II.I[I-]I.II
• Title of publication: Isolierte I~10~^2{-^}-Ringe, ein neues Strukturelement in der Polyiodid-Chemie
• Authors of publication: Wieczorrek, Carsten
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 1082 - 1084
• a: 10.914 ± 0.001 Å
• b: 21.758 ± 0.001 Å
• c: 32.774 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7782.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections: 1.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes