Information card for entry 4328884

Structure parameters

• Formula: C40 H42 Ag2 N6 O3
• Calculated formula: C36 H32 Ag2 N6 O2
• SMILES: [Ag]1234[Ag]56(Oc7[n]2c(C(c2[n]3c(ccc2)C)c2[n]4c(ccc2)C)ccc7)[n]2c(O1)cccc2C(c1[n]5c(ccc1)C)c1[n]6c(ccc1)C
• Title of publication: Influence of Second Coordination Sphere Hydroxyl Groups on the Reactivity of Copper(I) Complexes
• Authors of publication: Christopher S. Letko; Thomas B. Rauchfuss; Xiaoyuan Zhou; Danielle L. Gray
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4511 - 4520
• a: 10.7273 ± 0.0003 Å
• b: 23.3759 ± 0.0006 Å
• c: 29.2642 ± 0.0007 Å
• α: 90°
• β: 96.399 ± 0.001°
• γ: 90°
• Cell volume: 7292.6 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0289
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No