Information card for entry 7018466

Structure parameters

• Common name: Compound X
• Formula: C28 H39 Ag N4 O2
• Calculated formula: C28 H39 Ag N4 O2
• SMILES: [Ag](OC(=O)C)(=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(c2c(N1C(C)C)cccc2)C(C)C
• Title of publication: N-heterocyclic carbene stabilized copper- and silver-phenylchalcogenolate ring complexes.
• Authors of publication: Humenny, Will J.; Mitzinger, Stefan; Khadka, Chhatra B.; Najafabadi, Bahareh Khalili; Vieira, Isabelle; Corrigan, John F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4413 - 4422
• a: 16.4222 ± 0.0004 Å
• b: 8.8202 ± 0.0003 Å
• c: 19.0174 ± 0.0006 Å
• α: 90°
• β: 99.643 ± 0.002°
• γ: 90°
• Cell volume: 2715.69 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0559
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No