Information card for entry 7036972

Structure parameters

• Formula: C60 H74 Cl2 F24 Li4 Mn2 N2 O14
• Calculated formula: C60 H74 Cl2 F24 Li4 Mn2 N2 O14
• SMILES: c1cc(C)cc2C(C(F)(F)F)(C(F)(F)F)[O]([Li]3[O](CC[O]3C)C)[Mn]3(Cl)(N(c4c(C([O]3[Li]3[O](CC[O]3C)C)(C(F)(F)F)C(F)(F)F)cc(cc4)C)c12)[O](C)CC[O](C)[Mn]12(Cl)N(c3c(C(C(F)(F)F)(C(F)(F)F)[O]1[Li]1[O](CC[O]1C)C)cc(cc3)C)c1c(C([O]2[Li]2[O](CC[O]2C)C)(C(F)(F)F)C(F)(F)F)cc(cc1)C
• Title of publication: Synthesis and characterization of a family of M(2+) complexes supported by a trianionic ONO(3-) pincer-type ligand: towards the stabilization of high-spin square-planar complexes.
• Authors of publication: Pascualini, M. E.; Stoian, S. A.; Ozarowski, A.; Di Russo, N. V.; Thuijs, A. E.; Abboud, K. A.; Christou, G.; Veige, A. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 46
• Pages of publication: 20207 - 20215
• a: 11.7492 ± 0.0006 Å
• b: 12.6849 ± 0.0007 Å
• c: 15.56 ± 0.0008 Å
• α: 66.597 ± 0.0011°
• β: 72.1457 ± 0.0011°
• γ: 63.4597 ± 0.001°
• Cell volume: 1880.28 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0482
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No