Information card for entry 7004002

Structure parameters

• Common name: (1,8-Bis(salicylaldiminato)-3,6-diazaoctane)iron(iii) perchlorate
• Chemical name: [1,8-Bis(salicylaldiminato)-3,6-diazaoctane]iron(III) perchlorate
• Formula: C20 H24 Cl Fe N4 O6
• Calculated formula: C20 H24 Cl Fe N4 O6
• Title of publication: The influence of ligand conformation on the thermal spin transitions in iron(iii) saltrien complexes
• Authors of publication: Pritchard, Ruth; Barrett, Simon A.; Kilner, Colin A.; Halcrow, Malcolm A.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 24
• Pages of publication: 3159 - 3168
• a: 17.8864 ± 0.0015 Å
• b: 13.797 ± 0.0011 Å
• c: 27.951 ± 0.003 Å
• α: 90°
• β: 100.881 ± 0.005°
• γ: 90°
• Cell volume: 6773.7 ± 1.1 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• 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: 0.1455
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.179
• Weighted residual factors for all reflections included in the refinement: 0.218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No