Information card for entry 7215781

Structure parameters

• Formula: C10 H32 Ag2 I6 N4 O2
• Calculated formula: C10 H28 Ag2 I6 N4 O2
• SMILES: C1[NH2+][C@H](C[NH2+]C1)C.I[Ag]1(I)[I][Ag](I)(I)[I]1.O.C1[C@@H](C)[NH2+]CC[NH2+]1.O
• Title of publication: Solvent-cooperatively directed iodoargentate hybrids: Structures and optical properties
• Authors of publication: Yu, Tanlai; Shen, Junju; Fu, Yangbo; Fu, Yunlong
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 5280
• a: 11.43 ± 0.002 Å
• b: 8.641 ± 0.0017 Å
• c: 14.858 ± 0.003 Å
• α: 90°
• β: 109.533 ± 0.003°
• γ: 90°
• Cell volume: 1383 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.222
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No