Information card for entry 7700429

Structure parameters

• Common name: Bi4(OH)2(H2O)4(HTAzBz)2(TAzBz).7H2O
• Formula: C48 H44 Bi4 N6 O37
• Calculated formula: C48 H20 Bi4 N6 O37
• Title of publication: A new proton-conducting Bi-carboxylate framework.
• Authors of publication: Vilela, Sérgio M F; Devic, Thomas; Várez, Alejandro; Salles, Fabrice; Horcajada, Patricia
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 30
• Pages of publication: 11181 - 11185
• a: 9.895 ± 0.004 Å
• b: 10.816 ± 0.004 Å
• c: 15.552 ± 0.004 Å
• α: 97.74 ± 0.03°
• β: 103.42 ± 0.04°
• γ: 111.69 ± 0.03°
• Cell volume: 1458.9 ± 1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.127
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No