Information card for entry 7212283

Structure parameters

• Formula: C18 H9 K3 O12
• Calculated formula: C18 H9 K3 O12
• Title of publication: CAU-1 and CAU-2: New tubular alkali metal‒organic framework materials, A3[C6H3(CO2)(CO2H0.5)(CO2H)]2 (A = K or Rb)
• Authors of publication: Kim, Min Kyung; Jo, Vinna; Lee, Dong Woo; Shim, Il-Wun; Ok, Kang Min
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1481
• a: 3.9802 ± 0.0008 Å
• b: 13.615 ± 0.003 Å
• c: 17.671 ± 0.004 Å
• α: 90°
• β: 93.72 ± 0.03°
• γ: 90°
• Cell volume: 955.6 ± 0.4 ų
• Cell temperature: 298 ± 0.2 K
• Ambient diffraction temperature: 298 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1379
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1311
• Weighted residual factors for all reflections included in the refinement: 0.1953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No