Information card for entry 2242437

Structure parameters

• Chemical name: Bis(tri-2-pyridylamine)iron(II) bis(perchlorate)
• Formula: C30 H24 Cl2 Fe N8 O8
• Calculated formula: C30 H24 Cl1.998 Fe N8 O7.992
• Title of publication: Redetermination of the crystal structure of bis(tri-2-pyridylamine)iron(II) bis(perchlorate), and a new refinement of the isotypic nickel(II) analogue: treatment of the perchlorate anion disorder
• Authors of publication: Setifi, Zouaoui; Setifi, Fatima; Dege, Necmi; El Ati, Rafika; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 5
• Pages of publication: 668 - 672
• a: 8.3251 ± 0.0007 Å
• b: 17.4731 ± 0.0011 Å
• c: 11.0495 ± 0.0009 Å
• α: 90°
• β: 98.716 ± 0.007°
• γ: 90°
• Cell volume: 1588.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0918
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes