Information card for entry 7018469

Structure parameters

• Formula: C76 H92 Ag4 N8 S4
• Calculated formula: C76 H92 Ag4 N8 S4
• SMILES: C1(N(c2c(cccc2)N1C(C)C)C(C)C)=[Ag]12[S]([Ag](S1(c1ccccc1)[Ag]1(=C3N(c4c(cccc4)N3C(C)C)C(C)C)[S]([Ag](S21c1ccccc1)=C1N(c2c(N1C(C)C)cccc2)C(C)C)c1ccccc1)=C1N(c2c(N1C(C)C)cccc2)C(C)C)c1ccccc1
• 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: 12.417 ± 0.002 Å
• b: 13.0539 ± 0.0012 Å
• c: 13.0767 ± 0.0012 Å
• α: 118.415 ± 0.002°
• β: 100.83 ± 0.003°
• γ: 91.347 ± 0.003°
• Cell volume: 1815.3 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No