Information card for entry 2005930

Structure parameters

• Chemical name: Tris(1-ethyl-3,5-diaza-1-azonia-7-phosphatricyclodecane iodide)gold(I) Iodide Trihydrate
• Formula: C24 H53 Au I4 N9 O3 P3
• Calculated formula: C24 H57 Au I4 N9 O3 P3
• SMILES: C1N2CN3C[P]1([Au](I)([P]14CN5CN(C1)C[N+](C4)(C5)CC)[P]14CN5CN(C1)C[N+](C4)(C5)CC)C[N+](C2)(C3)CC.[I-].O.[I-].[I-].O.O
• Title of publication: Luminescent Tris(3-ethyl-1,5-diaza-3-azonia-7-phosphatricyclo[3.3.1.1^3,7^]decane-<i>P</i>)gold(I) Tetraiodide Trihydrate, [(EtTPA)~3~Au]I~4~.3H~2~O
• Authors of publication: Forward, J. M.; Staples, R. J.; Liu, C. W.; Fackler, Jnr, J. P.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 195 - 197
• a: 21.421 ± 0.002 Å
• b: 21.421 ± 0.002 Å
• c: 15.063 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5985.8 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0348
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.0565
• Goodness-of-fit parameter for all reflections: 1.075
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No