Information card for entry 4131073

Structure parameters

• Common name: Co(d4-bdp)
• 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: 24.687 ± 0.009 Å
• b: 6.6675 ± 0.001 Å
• c: 7.0913 ± 0.0026 Å
• α: 90°
• β: 92.409 ± 0.047°
• γ: 90°
• Cell volume: 1166.2 ± 0.6 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor R(I) for significantly intense reflections: 0.063
• Goodness-of-fit parameter for all reflections: 9.93
• 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