Information card for entry 8101919

Structure parameters

• Chemical name: tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:1:7.5)
• Formula: C81 H75 N17 O2.5 Tb
• Calculated formula: C81 H72 N17 O Tb
• Title of publication: Crystal structures of tetrabutylammonium bis(phthalocyaninato)terbium(III) methanol solvate hydrate (1:1:3/2), [N(C~4~H~9~)~4~][Tb(C~8~H~4~N~2~)~2~] · CH~3~OH · 3/2 H~2~O, and tetrabutylammonium bis(phthalocyaninato)dysprosium(III) methanol solvate hydrate (1:1:1), [N(C~4~H~9~)~4~][Dy(C~8~H~4~N~2~)~2~] · CH~3~OH · H~2~O
• Authors of publication: Loosli, C.; Liu, S.-X.; Neels, A.; Labat, G.; Decurtins, S.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 2
• Pages of publication: 135 - 141
• a: 25.296 ± 0.002 Å
• b: 25.021 ± 0.002 Å
• c: 11.51 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7285 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1446
• Weighted residual factors for all reflections included in the refinement: 0.1489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No