Information card for entry 7003107

Structure parameters

• Formula: C21 H30 Cl2 Mn N4 O6
• Calculated formula: C21 H30 Cl2 Mn N4 O6
• 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: 13.0657 ± 0.0018 Å
• b: 13.0657 ± 0.0018 Å
• c: 54.299 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8028 ± 2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0934
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.193
• Weighted residual factors for all reflections included in the refinement: 0.2079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No