Information card for entry 7711940

Structure parameters

• Chemical name: catena-[acetylenedicarboxylate-κO:O':O'':O'''-(μ-hydroxido-κO:O)indium(III)]
• Formula: C4 H In O5
• Calculated formula: C4 H In O5
• Title of publication: Enhanced sorption in an indium-acetylenedicarboxylate metal-organic framework with unexpected chains of <i>cis</i>-μ-OH-connected {InO₆} octahedra.
• Authors of publication: Woschko, Dennis; Yilmaz, Süheyla; Jansen, Christian; Spieß, Alex; Oestreich, Robert; Matemb Ma Ntep, Tobie J.; Janiak, Christoph
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 977 - 989
• a: 9.8021 ± 0.0007 Å
• b: 9.8021 ± 0.0007 Å
• c: 12.812 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1230.99 ± 0.16 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 91
• Hermann-Mauguin space group symbol: P 41 2 2
• Hall space group symbol: P 4w 2c
• Residual factor for all reflections: 0.0095
• Residual factor for significantly intense reflections: 0.0094
• Weighted residual factors for significantly intense reflections: 0.0245
• Weighted residual factors for all reflections included in the refinement: 0.0246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No