Information card for entry 1576361

Structure parameters

• Formula: C19 H29 Cl2 Fe N5 O2
• Calculated formula: C19 H29 Cl2 Fe N5 O2
• Title of publication: Iron(II) and Manganese(II) Coordination Chemistry Ligated by Coplanar Tridentate Nitrogen-Donor Ligand, 2,6-bis(5-isopropyl-1<i>H</i>-pyrazol-3-yl)pyridine.
• Authors of publication: Fujisawa, Kiyoshi; Minakawa, Yurika; Young, David James
• Journal of publication: Molecules (Basel, Switzerland)
• Year of publication: 2025
• Journal volume: 30
• Journal issue: 20
• Pages of publication: 4128
• a: 11.13254 ± 0.00019 Å
• b: 19.5519 ± 0.0002 Å
• c: 13.9995 ± 0.0002 Å
• α: 90°
• β: 111.674 ± 0.0019°
• γ: 90°
• Cell volume: 2831.73 ± 0.08 ų
• Cell temperature: 178 K
• Ambient diffraction temperature: 178 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No