Information card for entry 7017818

Structure parameters

• Formula: C75.6 H88.9 Fe5 N5.3 O21
• Calculated formula: C75.6 H86.9 Fe5 N5.3 O21
• Title of publication: Pentanuclear complexes with unusual structural topologies from the initial use of two aliphatic amino-alcohol ligands in Fe chemistry.
• Authors of publication: Kizas, Christos M.; Manos, Manolis J.; Nastopoulos, Vassilios; Boudalis, Athanassios K.; Sanakis, Yiannis; Tasiopoulos, Anastasios J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 1544 - 1552
• a: 24.0638 ± 0.0005 Å
• b: 14.2734 ± 0.0002 Å
• c: 25.8406 ± 0.0006 Å
• α: 90°
• β: 111.12 ± 0.002°
• γ: 90°
• Cell volume: 8279.3 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.139
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No