Information card for entry 7038620

Structure parameters

• Formula: C24 H32 Mn N5 O7
• Calculated formula: C24 H32 Mn N5 O7
• SMILES: C1c2cc(OC)ccc2O[Mn]2345[N]=1CCC[NH]2CC[NH]3CCC[N]4=Cc1cc(OC)ccc1O5.N(=O)(=O)[O-]
• Title of publication: Structural insights into the counterion effects on the manganese(iii) spin crossover system with hexadentate Schiff-base ligands.
• Authors of publication: Wang, Shi; Xu, Wu-Tan; He, Wen-Rui; Takaishi, Shinya; Li, Yong-Hua; Yamashita, Masahiro; Huang, Wei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5676 - 5688
• a: 8.1744 ± 0.0009 Å
• b: 15.4164 ± 0.0017 Å
• c: 20.726 ± 0.002 Å
• α: 90°
• β: 100.763 ± 0.002°
• γ: 90°
• Cell volume: 2565.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0629
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.23
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No