Information card for entry 7127527

Structure parameters

• Formula: C12 H12 N O5 Pb
• Calculated formula: C12 H12 N O5 Pb
• Title of publication: Enhanced proton conductivity in a flexible metal-organic framework promoted by single-crystal-to-single-crystal transformation.
• Authors of publication: Chen, Xi; Zhang, Zhongyue; Chen, Jin; Sapchenko, Sergei; Han, Xue; da-Silva, Ivan; Li, Ming; Vitorica-Yrezabal, Inigo J; Whitehead, George; Tang, Chiu C.; Awaga, Kunio; Yang, Sihai; Schröder, Martin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 1
• Pages of publication: 65 - 68
• a: 10.4855 ± 0.0004 Å
• b: 11.1137 ± 0.0005 Å
• c: 12.492 ± 0.0004 Å
• α: 111.886 ± 0.004°
• β: 101.798 ± 0.003°
• γ: 103.943 ± 0.004°
• Cell volume: 1239.04 ± 0.11 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0918
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No