Information card for entry 4326056

Structure parameters

• Formula: C54.5 H74 F3 Fe2 N12 O9.5 S
• Calculated formula: C54.5 H74 F3 Fe2 N12 O9.5 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: 10.8889 ± 0.0005 Å
• b: 21.3269 ± 0.0009 Å
• c: 26.8112 ± 0.0012 Å
• α: 93.1871 ± 0.0006°
• β: 95.832 ± 0.0006°
• γ: 104.129 ± 0.0006°
• Cell volume: 5985.8 ± 0.5 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0737
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1736
• 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