Information card for entry 4344622

Structure parameters

• Formula: C34 H47 Fe N3 O7
• Calculated formula: C34 H47 Fe N3 O7
• SMILES: [Fe]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2CC1OCCOCCOCCOCCOC1)C)c1c(cccc1C(C)C)C(C)C)(C#[O])C#[O]
• Title of publication: Pyridinediimine Iron Complexes with Pendant Redox-Inactive Metals Located in the Secondary Coordination Sphere.
• Authors of publication: Delgado, Mayra; Ziegler, Joshua M.; Seda, Takele; Zakharov, Lev N.; Gilbertson, John D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 555 - 557
• a: 8.6642 ± 0.0017 Å
• b: 13.636 ± 0.003 Å
• c: 16.314 ± 0.003 Å
• α: 114.394 ± 0.003°
• β: 103.191 ± 0.004°
• γ: 90.234 ± 0.004°
• Cell volume: 1698.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0962
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No