Information card for entry 4336240

Structure parameters

• Formula: C27 H23 Cl4 Fe2 Ge2 N3
• Calculated formula: C27 H23 Cl4 Fe2 Ge2 N3
• SMILES: [Ge]12(Cl)[n]3c(cccc3C=[N]1[c]13[Fe]456789%10([cH]1[cH]4[cH]5[cH]36)[cH]1[cH]7[cH]8[cH]9[cH]%101)C=[N]2[c]12[cH]3[Fe]4567891([cH]1[cH]4[cH]5[cH]6[cH]71)[cH]2[cH]8[cH]39.[Ge](Cl)(Cl)[Cl-]
• Title of publication: A Novel Diiminopyridine Ligand Containing Redox Active Co(III) Mixed Sandwich Complexes
• Authors of publication: Eleanor Magdzinski; Pierangelo Gobbo; Mark S. Workentin; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 11311 - 11319
• a: 12.791 ± 0.007 Å
• b: 28.663 ± 0.016 Å
• c: 7.87 ± 0.004 Å
• α: 90°
• β: 104.543 ± 0.013°
• γ: 90°
• Cell volume: 2793 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No