Information card for entry 7110446

Structure parameters

• Formula: C168 H160 Cl16 Fe8 N24 O73.5
• Calculated formula: C84 H80 Cl8 Fe4 N12 O36.75
• Title of publication: Synthesis and characterization of iron(III) complexes of a new ligand containing a potentially bridging carboxylate; structural characterization of a helical tetranuclear iron complex
• Authors of publication: Trukhan, Vladimir M.; Shteinman, Albert A.; Pierpont, Cortlandt G.; Jensen, Kenneth B.; Nordlander, Ebbe
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 13
• Pages of publication: 1193
• a: 16.4575 ± 0.0003 Å
• b: 17.8346 ± 0.0002 Å
• c: 19.379 ± 0.0003 Å
• α: 77.521 ± 0.001°
• β: 89.245 ± 0.001°
• γ: 86.432 ± 0.001°
• Cell volume: 5542.84 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.4759
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections: 0.3538
• Weighted residual factors for significantly intense reflections: 0.2047
• Goodness-of-fit parameter for all reflections: 0.854
• Goodness-of-fit parameter for significantly intense reflections: 1.327
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No