Information card for entry 1514433

Structure parameters

• Common name: bio-MOF-12
• Formula: C11 H16 Co N6 O3
• Calculated formula: C11 H16 Co N6 O3
• Title of publication: Systematic modulation and enhancement of CO2 : N2 selectivity and water stability in an isoreticular series of bio-MOF-11 analogues
• Authors of publication: Li, Tao; Chen, De-Li; Sullivan, Jeanne E.; Kozlowski, Mark T.; Johnson, J. Karl; Rosi, Nathaniel L.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1746
• a: 17.243 ± 0.003 Å
• b: 17.243 ± 0.003 Å
• c: 20.157 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5993 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No