Information card for entry 4131076

Structure parameters

• Common name: Co(d4-bdp)
• Formula: C12 H6 Co F2 N4
• Calculated formula: C12 H6 Co F2 N4
• Title of publication: Tuning the Adsorption-Induced Phase Change in the Flexible Metal-Organic Framework Co(bdp).
• Authors of publication: Taylor, Mercedes K.; Runčevski, Tomče; Oktawiec, Julia; Gonzalez, Miguel I.; Siegelman, Rebecca L.; Mason, Jarad A.; Ye, Jinxing; Brown, Craig M.; Long, Jeffrey R.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 45
• Pages of publication: 15019 - 15026
• a: 7.0279 ± 0.0018 Å
• b: 24.5205 ± 0.0064 Å
• c: 7.3196 ± 0.0019 Å
• α: 90°
• β: 111.936 ± 0.017°
• γ: 90°
• Cell volume: 1170 ± 0.5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor R(I) for significantly intense reflections: 0.035
• Goodness-of-fit parameter for all reflections: 8.07
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.72768 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No