Information card for entry 7705844

Structure parameters

• Formula: C195.5 H331 Cl7 N24 O78 P2 W22 Y2
• Calculated formula: C176 H286 N23 O78 P2 W22 Y2
• 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: 29.676 ± 0.004 Å
• b: 30.709 ± 0.004 Å
• c: 29.725 ± 0.004 Å
• α: 90°
• β: 91.83 ± 0.002°
• γ: 90°
• Cell volume: 27075 ± 6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• 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: 0.1264
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for significantly intense reflections: 0.2095
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No