Information card for entry 4317179

Structure parameters

• Formula: C90 H98 Cl8 Fe4 N8 O9
• Calculated formula: C90 H98 Cl8 Fe4 N8 O9
• 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: 29.257 ± 0.004 Å
• b: 12.9382 ± 0.0009 Å
• c: 27.262 ± 0.004 Å
• α: 90°
• β: 117.308 ± 0.017°
• γ: 90°
• Cell volume: 9169 ± 2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.4443
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.545
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No