Information card for entry 7003999

Structure parameters

• Common name: (1,8-Bis(salicylaldiminato)-3,6-diazaoctane)iron(iii) hexafluorophosphate
• Chemical name: [1,8-Bis(salicylaldiminato)-3,6-diazaoctane]iron(III) hexafluorophosphate
• Formula: C20 H24 F6 Fe N4 O2 P
• Calculated formula: C20 H24 F6 Fe N4 O2 P
• 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: 9.5581 ± 0.0008 Å
• b: 27.316 ± 0.002 Å
• c: 17.9457 ± 0.0015 Å
• α: 90°
• β: 92.34 ± 0.005°
• γ: 90°
• Cell volume: 4681.5 ± 0.7 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 7
• 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: 0.0918
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No