Information card for entry 7031265

Structure parameters

• Chemical name: Iodo(2,2'-bipyridine-κN:κN')(1,3-di-<i>tert</i>- butyl-2,4-bis(<i>tert</i>-butylamino)-2-methyl-[1,3,2,4] diazadiphosphetidin-2-ium-κP)copper(I) Iodide
• Formula: C27 H49 Cu I2 N6 P2
• Calculated formula: C27 H49 Cu I2 N6 P2
• SMILES: [Cu]1(I)([P]2(NC(C)(C)C)N(P(=[N]2C(C)(C)C)(NC(C)(C)C)C)C(C)(C)C)[n]2ccccc2c2[n]1cccc2.[I-]
• 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: 14.1715 ± 0.0006 Å
• b: 14.6142 ± 0.0006 Å
• c: 16.8817 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3496.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No