Information card for entry 7031264

Structure parameters

• Chemical name: μ-Triiodobis(1,3-di(<i>tert</i>-butyl)-2,4-bis(<i>tert</i>- butylamino)-2-methyl-[1,3,2,4]diazadiphosphetidin- 2-ium)-κ-P dicopper(I) iodide acetonitrile solvate
• Formula: C36 H85 Cu2 I4 N9 P4
• Calculated formula: C36 H85 Cu2 I4 N9 P4
• Title of publication: Quaternization and oxidation reactions of cyclodiphosphazane derivatives and their copper(i) and gold(i) complexes.
• Authors of publication: Balakrishna, Maravanji S.; Suresh, Devarajan; Ananthnag, Guddekoppa S.; Mague, Joel T.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 8835 - 8848
• a: 10.395 ± 0.0007 Å
• b: 29.9149 ± 0.0018 Å
• c: 17.8929 ± 0.0011 Å
• α: 90°
• β: 95.847 ± 0.001°
• γ: 90°
• Cell volume: 5535.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0591
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.0768
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No