Information card for entry 1569646

Structure parameters

• Formula: C26 H21 Cl Cu Ge N4 O4
• Calculated formula: C26 H21 Cl Cu Ge N4 O4
• SMILES: [Cu]1234(Cl)[Ge](Oc5[n]1cccc5)(Oc1[n]2cccc1)(Oc1[n]3cccc1)(Oc1[n]4cccc1)c1ccccc1
• Title of publication: Ge-Cu-Complexes Ph(pyO)Ge(μ²-pyO)₂CuCl and PhGe(μ²-pyO)₄CuCl-Representatives of Cu(I)→Ge(IV) and Cu(II)→Ge(IV) Dative Bond Systems.
• Authors of publication: Wagler, Jörg; Gericke, Robert
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 14
• Pages of publication: 5442
• a: 15.73 ± 0.0002 Å
• b: 18.2546 ± 0.0004 Å
• c: 17.1794 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4932.98 ± 0.15 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0817
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No