Information card for entry 4131068

Structure parameters

• Formula: C12 H4 Co D4 N4
• Calculated formula: C12 H4 Co D4 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: 13.2909 ± 0.0005 Å
• b: 13.2909 ± 0.0005 Å
• c: 14.356 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2535.96 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 95
• Hermann-Mauguin space group symbol: P 43 2 2
• Hall space group symbol: P 4cw 2c
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.085
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No