Information card for entry 7003108

Structure parameters

• Formula: C46 H48 Cl3 Fe3 N10 O18
• Calculated formula: C46 H48 Cl3 Fe3 N10 O18
• Title of publication: High spin d5 complexes of tris(6-hydroxymethyl-2-pyridylmethyl)amine (H3L): hepta-coordinated [Mn(H3L)]Cl2 and linear trinuclear [Fe3L2](ClO4)3
• Authors of publication: Guisado-Barrios, Gregorio; Li, Yang; Slawin, Alexandra M. Z.; Richens, David T.; Gass, Ian A.; Murray, Paul R.; Yellowlees, Lesley J.; Brechin, Euan K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 4
• Pages of publication: 551 - 558
• a: 11.4533 ± 0.0019 Å
• b: 20.826 ± 0.003 Å
• c: 11.5573 ± 0.0019 Å
• α: 90°
• β: 108.114 ± 0.004°
• γ: 90°
• Cell volume: 2620.1 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0766
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1701
• Goodness-of-fit parameter for all reflections included in the refinement: 0.932
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No