Information card for entry 4326054

Structure parameters

• Formula: C51 H65 Cl2 F3 Fe2 N12 O7 S
• Calculated formula: C51 H65 Cl2 F3 Fe2 N12 O7 S
• Title of publication: Structural Diversity in Metal Complexes with a Dinucleating Ligand Containing Carboxyamidopyridyl Groups
• Authors of publication: Gary K.-Y. Ng; Joseph W. Ziller; A. S. Borovik
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 7922 - 7924
• a: 11.5239 ± 0.0006 Å
• b: 13.2419 ± 0.0007 Å
• c: 20.3198 ± 0.0011 Å
• α: 85.1888 ± 0.0007°
• β: 77.893 ± 0.0007°
• γ: 71.2408 ± 0.0006°
• Cell volume: 2870.3 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1182
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No