Information card for entry 7245660

Structure parameters

• Formula: C24 H27 Cl Mn N6 O4
• Calculated formula: C24 H27 Cl Mn N6 O4
• SMILES: [Mn]123(Cl)([OH]C)([O]=C(O1)C(C)C)[n]1ccccc1c1[n]2c(nc(n1)c1ncccc1)c1[n]3cccc1.OC
• Title of publication: FeII/III and MnII complexes based on 2,4,6-tris(2-pyridyl)-triazine: synthesis, structures, magnetic and biological properties
• Authors of publication: Darii, Mariana; Mikosch, Annabel; van Leusen, Jan; Kravtsov, Victor Ch.; Dvornina, Elena G.; Clapco, Steliana T.; Ciloci, Alexandra; Kögerler, Paul; Baca, Svetlana G.
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 45
• Pages of publication: 29034 - 29047
• a: 8.8127 ± 0.0006 Å
• b: 10.9546 ± 0.0005 Å
• c: 15.1293 ± 0.0006 Å
• α: 71.115 ± 0.004°
• β: 81.894 ± 0.004°
• γ: 68.777 ± 0.005°
• Cell volume: 1287.76 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0687
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1351
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No