Information card for entry 7020346

Structure parameters

• Formula: C50 H28 Cr2 F40 N4 O14 Y2
• Calculated formula: C50 H28 Cr2 F40 N4 O14 Y2
• SMILES: [F]1[Y]234(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)(OC(=CC(=[O]3)C(F)(F)F)C(F)(F)F)([F][Cr]23([OH][Cr]1([OH]2)([F][Y]125([F]3)([O]=C(C(F)(F)F)C=C(C(F)(F)F)O1)(OC(=CC(C(F)(F)F)=[O]2)C(F)(F)F)OC(=CC(C(F)(F)F)=[O]5)C(F)(F)F)([n]1ccccc1)[n]1ccccc1)([n]1ccccc1)[n]1ccccc1)[O]=C(C(F)(F)F)C=C(C(F)(F)F)O4
• 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: 12.181 ± 0.002 Å
• b: 12.53 ± 0.003 Å
• c: 12.55 ± 0.002 Å
• α: 65.253 ± 0.011°
• β: 78.007 ± 0.012°
• γ: 77.683 ± 0.013°
• Cell volume: 1684.3 ± 0.6 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: 0.0619
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No