Information card for entry 7024874

Structure parameters

• Common name: Gadolinium(iii) 2,3,5,6-Tetrafluoro-7,7,8,8- Tetracyanoquinodimethane
• Chemical name: Gadolinium(III) 2,3,5,6-Tetrafluoro-7,7,8,8-Tetracyanoquinodimethane
• Formula: C36 H18 F12 Gd N12 O9
• Calculated formula: C36 H18 F12 Gd N12 O9
• SMILES: [Gd]([OH2])([N]#CC(=C1C(F)=C(F)C(C(F)=C1F)=C(C#N)C#N)C#N)([OH2])([OH2])([OH2])([OH2])([OH2])[N]#CC(C#N)=C1C(F)=C(F)C(=C(C#N)C#N)C(F)=C1F.FC1C(C(F)=C(F)C(=C(C#N)C#N)C=1F)=C(C#N)C#N.O.O.O
• Title of publication: A homologous heterospin series of mononuclear lanthanide/TCNQF(4) organic radical complexes.
• Authors of publication: Lopez, Nazario; Zhao, Hanhua; Prosvirin, Andrey V.; Wernsdorfer, Wolfgang; Dunbar, Kim R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 18
• Pages of publication: 4341 - 4352
• a: 13.701 ± 0.003 Å
• b: 17.671 ± 0.004 Å
• c: 17.104 ± 0.003 Å
• α: 90°
• β: 103.18 ± 0.03°
• γ: 90°
• Cell volume: 4032 ± 1.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No