Information card for entry 4317176

Structure parameters

• Formula: C36 H36 Cl2 Fe N6 O2
• Calculated formula: C36 H36 Cl2 Fe N6 O2
• Title of publication: Iron(II) Complexes with Tetradentate Bis(aminophenolate) Ligands: Synthesis and Characterization, Solution Behavior, and Reactivity with O2
• Authors of publication: Christopher J. Whiteoak; Rafael Torres Martin de Rosales; Andrew J. P. White; George J. P. Britovsek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11106 - 11117
• a: 10.8416 ± 0.0002 Å
• b: 12.3542 ± 0.0004 Å
• c: 14.3132 ± 0.0004 Å
• α: 90.566 ± 0.002°
• β: 110.118 ± 0.002°
• γ: 107.172 ± 0.002°
• Cell volume: 1706.57 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No