Information card for entry 4331908

Structure parameters

• Formula: C70 H94 Fe2 K2 N6 O3
• Calculated formula: C70 H94 Fe2 K2 N6 O3
• SMILES: [Fe]12([OH]3[K][OH]([Fe]45N(C(=C)c6[n]4c(ccc6)C(=C)N5c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)[K]3)N(C(=C)c3[n]1c(ccc3)C(=C)N2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• Title of publication: Bis(imino)pyridine Ligand Deprotonation Promoted by a Transient Iron Amide
• Authors of publication: Bouwkamp, Marco W.; Lobkovsky, Emil; Chirik, Paul J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 2 - 4
• a: 12.017 ± 0.0017 Å
• b: 24.309 ± 0.003 Å
• c: 22.996 ± 0.003 Å
• α: 90°
• β: 100.635 ± 0.006°
• γ: 90°
• Cell volume: 6602.2 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0739
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No