Information card for entry 7120837

Structure parameters

• Formula: C5 H6 Br3 N O Pb
• Calculated formula: C5 H6 Br3 N O Pb
• Title of publication: Simultaneous Crystallization of in situ Formed Conjugated Polymer and Inorganic Matrix for Structure Solving
• Authors of publication: Liu, Guangfeng; Gu, Peiyang; NIE, Lina; zhang, qichun
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 4.3093 ± 0.0008 Å
• b: 10.586 ± 0.002 Å
• c: 12.335 ± 0.002 Å
• α: 103.012 ± 0.002°
• β: 97.348 ± 0.002°
• γ: 94.651 ± 0.002°
• Cell volume: 540.22 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No