Information card for entry 7005438

Structure parameters

• Common name: 040039
• Formula: C33 H30.5 Cl3 Fe N4.5 S
• Calculated formula: C33 H30.5 Cl3 Fe N4.5 S
• 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: 10.463 ± 0.001 Å
• b: 25.473 ± 0.002 Å
• c: 12.291 ± 0.002 Å
• α: 90°
• β: 95.59 ± 0.02°
• γ: 90°
• Cell volume: 3260.3 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1349
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No