Information card for entry 4339209

Structure parameters

• Formula: C42 H24 Ge N6 Ni O12
• Calculated formula: C42 H24 Ge N6 Ni O12
• SMILES: [Ge]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(O3)=O.[Ni]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]2cccc1cc4)[n]1cccc2c1c1[n]3cccc1cc2
• 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: 9.406 ± 0.0019 Å
• b: 20.647 ± 0.004 Å
• c: 19.022 ± 0.004 Å
• α: 90°
• β: 95.09 ± 0.03°
• γ: 90°
• Cell volume: 3679.6 ± 1.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1397
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No