Information card for entry 4350662

Structure parameters

• Formula: C68 H90 Fe4 N50 O43
• Calculated formula: C68 H90 Fe4 N50 O43
• Title of publication: Oligonuclear Fe complexes (Fe, Fe4, Fe6, Fe9) derived from tritopic pyridine bis-hydrazone ligands-structural, magnetic, and Mössbauer studies.
• Authors of publication: Anwar, Muhammad U.; Dawe, Louise N.; Parsons, Stewart R.; Tandon, Santokh S.; Thompson, Laurence K.; Dey, Subrata K.; Mereacre, Valeriu; Reiff, William M.; Bunge, Scott D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4655 - 4668
• a: 14.236 ± 0.006 Å
• b: 17.624 ± 0.008 Å
• c: 22.09 ± 0.009 Å
• α: 103.086 ± 0.005°
• β: 99.396 ± 0.006°
• γ: 101.103 ± 0.002°
• Cell volume: 5172 ± 4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1349
• Residual factor for significantly intense reflections: 0.114
• Weighted residual factors for significantly intense reflections: 0.3451
• Weighted residual factors for all reflections included in the refinement: 0.3775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.371
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No