Information card for entry 7018470

Structure parameters

• Formula: C76 H92 Ag4 N8 Se4
• Calculated formula: C76 H92 Ag4 N8 Se4
• SMILES: C1(N(c2ccccc2N1C(C)C)C(C)C)=[Ag]12[Se](c3ccccc3)[Ag](=C3N(c4c(N3C(C)C)cccc4)C(C)C)[Se]2([Ag]2(=C3N(c4ccccc4N3C(C)C)C(C)C)[Se]1(c1ccccc1)[Ag](=C1N(c3c(N1C(C)C)cccc3)C(C)C)[Se]2c1ccccc1)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: 12.438 ± 0.003 Å
• b: 13.165 ± 0.003 Å
• c: 13.217 ± 0.003 Å
• α: 118.35 ± 0.006°
• β: 91.274 ± 0.006°
• γ: 101.302 ± 0.006°
• Cell volume: 1851 ± 0.8 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: 0.1512
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.879
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No