Information card for entry 4324332

Structure parameters

• Chemical name: [Co3(OH2)2(G1)(btec)]-2(H2O)
• Formula: C36 H28 Co3 N8 O16
• Calculated formula: C36 H28 Co3 N8 O16
• Title of publication: Reversible Single-Crystal-to-Single-Crystal Transformation and Highly Selective Adsorption Property of Three-Dimensional Cobalt(II) Frameworks
• Authors of publication: Zhi Su; Min Chen; Taka-aki Okamura; Man-Sheng Chen; Shui-Sheng Chen; Wei-Yin Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 985 - 991
• a: 8.55 ± 0.004 Å
• b: 10.077 ± 0.003 Å
• c: 11.255 ± 0.004 Å
• α: 77.672 ± 0.013°
• β: 73.974 ± 0.017°
• γ: 88.701 ± 0.017°
• Cell volume: 909.9 ± 0.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0344
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No