Information card for entry 4304627

Structure parameters

• Formula: C48 H54 N4
• Calculated formula: C48 H54 N4
• SMILES: N(c1c(Nc2ccc(cc2)C(C)(C)C)cccc1)(c1c(Nc2ccc(cc2)C(C)(C)C)cccc1)c1c(Nc2ccc(cc2)C(C)(C)C)cccc1
• Title of publication: Synthesis, Characterization, and Reactivity of Iron Trisamidoamine Complexes That Undergo Both Metal- and Ligand-Centered Oxidative Transformations
• Authors of publication: Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Rupam Dinda; Richard J. Staples; Ekkehard Sinn; Nigam P. Rath; Pericles Stavropoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 1165 - 1172
• a: 16.452 ± 0.002 Å
• b: 13.4243 ± 0.0019 Å
• c: 19.063 ± 0.003 Å
• α: 90°
• β: 107.673 ± 0.003°
• γ: 90°
• Cell volume: 4011.5 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 3
• 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: 0.136
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.205
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No