Information card for entry 7042050

Structure parameters

• Formula: C103 H110 Cl2 Fe10 N2 O39
• Calculated formula: C103 H109 Cl2 Fe10 N2 O39
• Title of publication: Binding of ligands containing carbonyl and phenol groups to iron(iii): new Fe6, Fe10 and Fe12 coordination clusters.
• Authors of publication: Kitos, Alexandros A.; Papatriantafyllopoulou, Constantina; Tasiopoulos, Anastasios J.; Perlepes, Spyros P.; Escuer, Albert; Nastopoulos, Vassilios
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3240 - 3251
• a: 27.692 ± 0.003 Å
• b: 17.496 ± 0.002 Å
• c: 27.706 ± 0.004 Å
• α: 90°
• β: 116.695 ± 0.011°
• γ: 90°
• Cell volume: 11993 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0718
• Weighted residual factors for significantly intense reflections: 0.2048
• Weighted residual factors for all reflections included in the refinement: 0.222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No