Information card for entry 1569647

Structure parameters

• Formula: C21 H17 Cl Cu Ge N3 O3
• Calculated formula: C21 H17 Cl Cu Ge N3 O3
• SMILES: [Ge]12([Cu](Cl)([n]3c(O1)cccc3)[n]1c(O2)cccc1)(Oc1ncccc1)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: 14.4369 ± 0.0002 Å
• b: 8.7499 ± 0.0001 Å
• c: 16.2903 ± 0.0003 Å
• α: 90°
• β: 92.555 ± 0.001°
• γ: 90°
• Cell volume: 2055.77 ± 0.05 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No