Information card for entry 1545546

Structure parameters

• Formula: C12 H10 Cl2 N4 O Pb
• Calculated formula: C12 H10 Cl2 N4 O Pb
• Title of publication: FDHALO17: Prospects for 207Pb Solid-State NMR Studies of Lead Tetrel Bonds
• Authors of publication: Southern, Scott Alexander; Errulat, Dylan; Frost, Jamie; Gabidullin, Bulat; Bryce, David L.
• Journal of publication: Faraday Discuss.
• Year of publication: 2017
• a: 14.0154 ± 0.0006 Å
• b: 12.5288 ± 0.0005 Å
• c: 16.4104 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2881.6 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1219
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No