Information card for entry 4345783

Structure parameters

• Common name: [Fe(pytren-2pyH-1)](ClO4)2
• Formula: C19 H26 Cl2 Fe N6 O8
• Calculated formula: C19 H26 Cl2 Fe N6 O8
• Title of publication: Iron(II) Complexes with Scorpiand-Like Macrocyclic Polyamines: Kinetico-Mechanistic Aspects of Complex Formation and Oxidative Dehydrogenation of Coordinated Amines.
• Authors of publication: Clares, M. Paz; Acosta-Rueda, Laura; Castillo, Carmen E.; Blasco, Salvador; Jiménez, Hermas R; García-España, Enrique; Basallote, Manuel G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 8
• Pages of publication: 4400 - 4412
• a: 15.5602 ± 0.0003 Å
• b: 8.848 ± 0.0002 Å
• c: 18.2092 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2506.98 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.2841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No