Information card for entry 4339206

Structure parameters

• Formula: C42 H24 Fe Ge N6 O12
• Calculated formula: C42 H24 Fe Ge N6 O12
• SMILES: [Ge]123(OC(=O)C(O2)=O)(OC(=O)C(=O)O1)OC(=O)C(=O)O3.[Fe]123([n]4c5c(ccc6c5[n]3ccc6)ccc4)([n]3cccc4c3c3[n]1cccc3cc4)[n]1c3c4[n]2cccc4ccc3ccc1
• Title of publication: Heterodimetallic germanium(IV) complex structures with transition metals.
• Authors of publication: Shi, Fa-Nian; Cunha-Silva, Luís; Hardie, Michaele J.; Trindade, Tito; Paz, Filipe A Almeida; Rocha, João
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 16
• Pages of publication: 6502 - 6515
• a: 9.3425 ± 0.0005 Å
• b: 20.6117 ± 0.0009 Å
• c: 19.1881 ± 0.0009 Å
• α: 90°
• β: 95.41 ± 0.002°
• γ: 90°
• Cell volume: 3678.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No