Information card for entry 7115948

Structure parameters

• Formula: C44 H30 O19 Pb4
• Calculated formula: C44 H30 O19 Pb4
• Title of publication: A facile single crystal to single crystal transition with significant structural contraction on desolvation
• Authors of publication: Jane V. Knichal; William J. Gee; Andrew D. Burrows; Paul R. Raithby; Simon J. Teat; Chick C. Wilson
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 14436
• a: 9.988 ± 0.002 Å
• b: 17.698 ± 0.004 Å
• c: 12.489 ± 0.003 Å
• α: 90°
• β: 95.59 ± 0.03°
• γ: 90°
• Cell volume: 2197.2 ± 0.9 ų
• Cell temperature: 149.9 ± 0.2 K
• Ambient diffraction temperature: 149.9 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No