Information card for entry 4305001

Structure parameters

• Common name: Silver nitrate-iron(III) pyridylacetylacetonate bromobenzene solvate (3:2:5)
• Chemical name: Tris[nitratosilver]bis[tris-[3-(4-pyridinyl)- 2,4-pentanedionato]iron], compound with bromobenzene (1:5)
• Formula: C90 H85 Ag3 Br5 Fe2 N9 O21
• Calculated formula: C90 H85 Ag3 Br5 Fe2 N9 O21
• Title of publication: A Nanoporous Ag-Fe Mixed-Metal-Organic Framework Exhibiting Single-Crystal-to-Single-Crystal Transformations upon Guest Exchange
• Authors of publication: Yixun Zhang; Banglin Chen; Frank R. Fronczek; Andrew W. Maverick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 4433 - 4435
• a: 7.841 ± 0.002 Å
• b: 15.528 ± 0.004 Å
• c: 39.51 ± 0.012 Å
• α: 91.84 ± 0.012°
• β: 92.85 ± 0.011°
• γ: 99.92 ± 0.02°
• Cell volume: 4729 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.155
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.203
• Weighted residual factors for all reflections included in the refinement: 0.227
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No