Information card for entry 4303259

Structure parameters

• Formula: C25 H36 Fe I2 N4 O
• Calculated formula: C25 H36 Fe I2 N4 O
• SMILES: [Fe]1(I)(I)[n]2n(C(n3[n]1c(cc3C)C)c1c(O)c(cc(c1)C(C)(C)C)C(C)(C)C)c(cc2C)C
• Title of publication: New Zinc Complexes bearing κ2-Heteroscorpionate Ligands: Influence of Second-Sphere Bonding Interactions on Reactivity and Properties
• Authors of publication: Stefano Milione; Carmine Capacchione; Cinzia Cuomo; Maria Strianese; Valerio Bertolasi; Alfonso Grassi
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9510 - 9518
• a: 12.0259 ± 0.0002 Å
• b: 19.3743 ± 0.0004 Å
• c: 14.5478 ± 0.0003 Å
• α: 90°
• β: 112.254 ± 0.0013°
• γ: 90°
• Cell volume: 3137.08 ± 0.11 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.081
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No