Information card for entry 4308118

Structure parameters

• Formula: C58 H112 Fe6 N6 O24
• Calculated formula: C58 H112 Fe6 N6 O24
• Title of publication: Diversity of New Structural Types in Polynuclear Iron Chemistry with a Tridentate N,N,O Ligand
• Authors of publication: Rashmi Bagai; Saiti Datta; Amalia Betancur-Rodriguez; Khalil A. Abboud; Stephen Hill; George Christou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 4535 - 4547
• a: 12.9769 ± 0.001 Å
• b: 14.4142 ± 0.0011 Å
• c: 23.9082 ± 0.0018 Å
• α: 87.624 ± 0.001°
• β: 88.562 ± 0.001°
• γ: 66.092 ± 0.001°
• Cell volume: 4084.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No