Information card for entry 7020345

Structure parameters

• Formula: C60 H36 Cr2 F42 N6 O12 Tb2
• Calculated formula: C60 H36 Cr2 F42 N6 O12 Tb2
• SMILES: [F]1[Tb]234([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)([O]=C(C=C(O3)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)[F][Cr]([F][Tb]234([F][Cr]1(F)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)OC(=CC(=[O]4)C(F)(F)F)C(F)(F)F)(F)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
• Title of publication: Fluoride-bridged {Ln2Cr2} polynuclear complexes from semi-labile mer-[CrF3(py)3] and [Ln(hfac)3(H2O)2].
• Authors of publication: Thuesen, Christian Aa; Pedersen, Kasper S.; Schau-Magnussen, Magnus; Evangelisti, Marco; Vibenholt, Johan; Piligkos, Stergios; Weihe, Høgni; Bendix, Jesper
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 37
• Pages of publication: 11284 - 11292
• a: 12.5395 ± 0.0009 Å
• b: 13.2423 ± 0.001 Å
• c: 15.094 ± 0.002 Å
• α: 97.193 ± 0.016°
• β: 110.446 ± 0.008°
• γ: 116.354 ± 0.007°
• Cell volume: 1983.7 ± 0.5 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No