Information card for entry 4501974

Structure parameters

• Formula: C12 H13 O9 Rb
• Calculated formula: C12 H13 O9 Rb
• Title of publication: Two- and Three-Dimensional Assemblies Formed by Alkali Metal (Li+−Cs+) and Ba2+Ions with Bicyclo[2.2.2]oct-7-ene-2,3,5,6-tetracarboxylic Acid
• Authors of publication: Thuéry, Pierre; Masci, Bernardo
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 4109
• a: 8.2294 ± 0.0003 Å
• b: 9.6363 ± 0.0005 Å
• c: 9.6873 ± 0.0006 Å
• α: 117.415 ± 0.002°
• β: 94.302 ± 0.004°
• γ: 99.489 ± 0.004°
• Cell volume: 662.54 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0591
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No