Information card for entry 7005433

Structure parameters

• Common name: 040026
• Formula: C28 H24.5 Cl2 Fe N3.5
• Calculated formula: C28 H24.5 Cl2 Fe N3.5
• SMILES: [Fe]12(Cl)(Cl)[N](=C3C(=[N]1c1c(cccc1C)C)c1cccc4cccc3c14)CCc1[n]2cccc1.N#CC
• Title of publication: Alternatives to pyridinediimine ligands: syntheses and structures of metal complexes supported by donor-modified alpha-diimine ligands.
• Authors of publication: Schmiege, Benjamin M.; Carney, Michael J.; Small, Brooke L.; Gerlach, Deidra L.; Halfen, Jason A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 24
• Pages of publication: 2547 - 2562
• a: 11.348 ± 0.002 Å
• b: 15.047 ± 0.003 Å
• c: 16.062 ± 0.003 Å
• α: 85.13 ± 0.05°
• β: 77.33 ± 0.04°
• γ: 76.89 ± 0.06°
• Cell volume: 2604.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No