Information card for entry 7241136

Structure parameters

• Formula: C11 H19.161 Cl3 Fe N4 O1.907
• Calculated formula: C11 H19.16 Cl3 Fe N4 O1.91
• Title of publication: Functionalized pyridine in pyclen-based iron(iii) complexes: evaluation of fundamental properties
• Authors of publication: Mekhail, Magy A.; Pota, Kristof; Schwartz, Timothy M.; Green, Kayla N.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 52
• Pages of publication: 31165 - 31170
• a: 6.8687 ± 0.0002 Å
• b: 8.6082 ± 0.0002 Å
• c: 13.7369 ± 0.0004 Å
• α: 80.288 ± 0.002°
• β: 81.571 ± 0.002°
• γ: 88.256 ± 0.002°
• Cell volume: 791.92 ± 0.04 ų
• Cell temperature: 102.49 K
• Ambient diffraction temperature: 102.49 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No