Information card for entry 4120940

Structure parameters

• Formula: C44 H65 Br Ge2 N4 O2
• Calculated formula: C44 H65 Br Ge2 N4 O2
• SMILES: [Ge]1(Oc2c(Br)c(O[Ge]3[N](=C(N3C(C)(C)C)c3ccccc3)C(C)(C)C)c(cc2C(C)(C)C)C(C)(C)C)[N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C
• Title of publication: From Bis(silylene) and Bis(germylene) Pincer-Type Nickel(II) Complexes to Isolable Intermediates of the Nickel-Catalyzed Sonogashira Cross-Coupling Reaction
• Authors of publication: Daniel Gallego; Andreas Brück; Elisabeth Irran; Florian Meier; Martin Kaupp; Matthias Driess; John F. Hartwig
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 15617 - 15626
• a: 10.5224 ± 0.0005 Å
• b: 13.4646 ± 0.0006 Å
• c: 17.1624 ± 0.0006 Å
• α: 105.524 ± 0.004°
• β: 99.379 ± 0.003°
• γ: 97.497 ± 0.004°
• Cell volume: 2272.45 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No