Information card for entry 1556088

Structure parameters

• Chemical name: [Ag3Cl2(dppa)3](NO3)
• Formula: C72 H63 Ag3 Cl2 N4 O3 P6
• Calculated formula: C72 H63 Ag3 Cl2 N4 O3 P6
• SMILES: [Ag]123[Cl]4[Ag]5([Cl]1[Ag]4([P](c1ccccc1)(N[P]2(c1ccccc1)c1ccccc1)c1ccccc1)[P](N[P]5(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)N[P]3(c1ccccc1)c1ccccc1.O=N(=O)[O-]
• Title of publication: Structural characterization and gas-phase studies of the [Ag10H8(L)6]2+ nanocluster dication
• Authors of publication: Ma, Howard Z.; McKay, Alasdair I.; Mravak, Antonija; Scholz, Michael S.; White, Jonathan M.; Mulder, Roger J.; Bieske, Evan J.; Bonačić-Koutecký, Vlasta; O'Hair, Richard A. J.
• Journal of publication: Nanoscale
• Year of publication: 2019
• a: 16.0687 ± 0.0003 Å
• b: 13.7323 ± 0.0002 Å
• c: 16.9464 ± 0.0003 Å
• α: 90°
• β: 113.932 ± 0.002°
• γ: 90°
• Cell volume: 3417.91 ± 0.11 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No