Information card for entry 7705845

Structure parameters

• Formula: C82 H134 Cl12 N12 O39 P Tb W11
• Calculated formula: C76 H119.5 N12 O39 P Tb W11
• Title of publication: Phthalocyanine-polyoxotungstate lanthanide double deckers.
• Authors of publication: Sarwar, Sidra; Sanz, Sergio; van Leusen, Jan; Nichol, Gary S.; Brechin, Euan K.; Kögerler, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16638 - 16642
• a: 22.5917 ± 0.0014 Å
• b: 21.7413 ± 0.0012 Å
• c: 26.2648 ± 0.0015 Å
• α: 90°
• β: 95.355 ± 0.001°
• γ: 90°
• Cell volume: 12844.3 ± 1.3 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.147
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No