Information card for entry 7018472

Structure parameters

• Formula: C57 H69 Cu3 N6 Se3
• Calculated formula: C57 H69 Cu3 N6 Se3
• SMILES: c1([Se]2[Cu](=C3N(c4ccccc4N3C(C)C)C(C)C)[Se](c3ccccc3)[Cu](=C3N(c4ccccc4N3C(C)C)C(C)C)[Se](c3ccccc3)[Cu]2=C2N(c3ccccc3N2C(C)C)C(C)C)ccccc1
• 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: 15.5939 ± 0.0005 Å
• b: 15.5939 ± 0.0005 Å
• c: 40.87 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8606.9 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No