Information card for entry 7036575

Structure parameters

• Formula: C123 H111 Fe8 N8 O28
• Calculated formula: C123 H104 Fe8 N8 O28
• Title of publication: Carboxylate free μ-oxo bridged ferric wheel with a record exchange coupling.
• Authors of publication: Ahmed, Naushad; Upadhyay, Apoorva; Rajeshkumar, Thayalan; Vaidya, Shefali; Schnack, Jürgen; Rajaraman, Gopalan; Shanmugam, Maheswaran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 43
• Pages of publication: 18743 - 18747
• a: 23.091 ± 0.006 Å
• b: 24.427 ± 0.006 Å
• c: 23.572 ± 0.006 Å
• α: 90°
• β: 90.321 ± 0.004°
• γ: 90°
• Cell volume: 13295 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1085
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.2088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No