Information card for entry 4327282

Structure parameters

• Formula: C48 H108 Ag11 I3 O12 P6 Se13
• Calculated formula: C48 H108 Ag11 I3 O12 P6 Se13
• SMILES: [Ag]12[Se]3[Ag]45[I]6[Ag]78[Se]9[Ag]%10%11[I]%12[Ag]%13[Se]%14[Ag]%15([I]1[Ag]1%16[Se]%17[Ag]%18[Se]%19[Ag]6([Se]47%10%151[Ag]%12([Se]8=P%19(O[C@@H](C)CC)O[C@H](C)CC)[Se]%18=P([Se]%13%16)(O[C@H](C)CC)O[C@@H](C)CC)[Se]2=P%17(O[C@H](C)CC)O[C@H](C)CC)[Se](=P3(O[C@@H](C)CC)O[C@H](C)CC)[Ag]([Se]%11=P%14(O[C@H](C)CC)O[C@@H](C)CC)[Se]5=P9(O[C@H](C)CC)O[C@H](C)CC
• Title of publication: Selenium-Centered, Undecanuclear Silver Cages Surrounded by Iodo and Dialkyldiselenophosphato Ligands. Syntheses, Structures, and Photophysical Properties
• Authors of publication: C. W. Liu; Iu-Jie Shang; Rei-Jen Fu; Ben-Jie Liaw; Ju-Chun Wang; I-Jy Chang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Pages of publication: 2335 - 2340
• a: 23.398 ± 0.007 Å
• b: 14.386 ± 0.004 Å
• c: 30.173 ± 0.009 Å
• α: 90°
• β: 99.347 ± 0.004°
• γ: 90°
• Cell volume: 10021 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2007
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No