Information card for entry 2239973

Structure parameters

• Chemical name: <i>cyclo</i>-Bis(μ~4~-2,2-diallylmalonato- κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I)
• Formula: C90 H80 Ag4 O8 P4
• Calculated formula: C90 H80 Ag4 O8 P4
• SMILES: C12C(CC=C)(C3=[O][Ag]4([O]2[Ag]2([O]=C5C(C6=[O][Ag]([O]3[Ag]([O]=1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[O]26)([O]45)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(CC=C)CC=C)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)CC=C
• Title of publication: Crystal structure of <i>cyclo</i>-bis(μ~4~-2,2-diallylmalonato-κ^6^<i>O</i>^1^,<i>O</i>^3^:<i>O</i>^3^:<i>O</i>^1'^,<i>O</i>^3'^:<i>O</i>^1'^)tetrakis(triphenylphosphane-κ<i>P</i>)tetrasilver(I)
• Authors of publication: Frenzel, Peter; Jakob, Alexander; Schaarschmidt, Dieter; Rüffer, Tobias; Lang, Heinrich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 174 - 177
• a: 16.0462 ± 0.0001 Å
• b: 16.0462 ± 0.0001 Å
• c: 15.3337 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3948.13 ± 0.06 ų
• Cell temperature: 105 K
• Ambient diffraction temperature: 105 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes