Information card for entry 4329824

Structure parameters

• Formula: C18 H26 Cl2 Fe N6 O8
• Calculated formula: C18 H26 Cl2 Fe N6 O8
• Title of publication: Accessibility and Selective Stabilization of the Principal Spin States of Iron by Pyridyl versus Phenolic Ketimines: Modulation of the 6A1\λeftarrow\ρightarrow2T2 Ground-State Transformation of the [FeN4O2]+ Chromophore
• Authors of publication: Musa S. Shongwe; Usama A. Al-Zaabi; Faizah Al-Mjeni; Carla S. Eribal; Ekkehard Sinn; Imaddin A. Al-Omari; Hussein H. Hamdeh; Dariusz Matoga; Harry Adams; Michael J. Morris; Arnold L. Rheingold; Eckhard Bill; David J. Sellmyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8241 - 8253
• a: 15.7479 ± 0.0019 Å
• b: 9.8664 ± 0.0012 Å
• c: 15.2144 ± 0.0018 Å
• α: 90°
• β: 95.654 ± 0.002°
• γ: 90°
• Cell volume: 2352.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0969
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.136
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No