Information card for entry 7031263

Structure parameters

• Chemical name: 1,3-Di-<i>tert</i>-butyl-2,4-diselenoxy-2λ^5^,4λ^5^- [1,3,2,4]diazadiphosphetidin-2,4-di(yloxyethyl trimethylammonium) Iodode Hydrate
• Formula: C18 H46 I2 N4 O3 P2 Se2
• Calculated formula: C18 H46 I2 N4 O3 P2 Se2
• SMILES: [I-].[I-].[Se]=P1(OCC[N+](C)(C)C)N(P(=[Se])(OCC[N+](C)(C)C)N1C(C)(C)C)C(C)(C)C.O
• 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: 12.1752 ± 0.0009 Å
• b: 14.2395 ± 0.0011 Å
• c: 36.578 ± 0.003 Å
• α: 90°
• β: 94.632 ± 0.001°
• γ: 90°
• Cell volume: 6320.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0283
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No