Information card for entry 7031261

Structure parameters

• Chemical name: 1,3-Di-<i>tert</i>-butyl-2,4-bis-<i>tert</i>-butylamino- 2-methyl-4-selenoxo-4λ^5^-[1,3,2,4]diazadiphosphetidin- 2-ium iodide toluene solvate
• Formula: C24 H49 I N4 P2 Se
• Calculated formula: C24 H49 I N4 P2 Se
• SMILES: [I-].[Se]=P1(N([P+](N1C(C)(C)C)(NC(C)(C)C)C)C(C)(C)C)NC(C)(C)C.c1(ccccc1)C
• 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: 9.3436 ± 0.0006 Å
• b: 10.3905 ± 0.0007 Å
• c: 16.706 ± 0.0013 Å
• α: 93.176 ± 0.001°
• β: 104.556 ± 0.001°
• γ: 91.995 ± 0.001°
• Cell volume: 1565.43 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No