Information card for entry 7018468

Structure parameters

• Formula: C28 H40 Cl5 Cu N4
• Calculated formula: C28 H40 Cl5 Cu N4
• SMILES: [Cu](Cl)(=C1N(c2ccccc2N1C(C)C)C(C)C)=C1N(c2ccccc2N1C(C)C)C(C)C.C(Cl)Cl.C(Cl)Cl
• 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: 10.7467 ± 0.0004 Å
• b: 27.718 ± 0.0012 Å
• c: 10.9348 ± 0.0005 Å
• α: 90°
• β: 93.947 ± 0.002°
• γ: 90°
• Cell volume: 3249.5 ± 0.2 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: 0.0841
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No