Information card for entry 7226349

Structure parameters

• Formula: C75.5 H69.5 Co3 N12.5 O28.5
• Calculated formula: C68 H52 Co3 N10 O26
• Title of publication: Hydrogen adsorption in azolium and metalated N-heterocyclic carbene containing MOFs
• Authors of publication: Capon, Patrick K.; Burgun, Alexandre; Coghlan, Campbell J.; Crees, Rachel S.; Doonan, Christian J.; Sumby, Christopher J.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 37
• Pages of publication: 7003
• a: 23.128 ± 0.005 Å
• b: 14.043 ± 0.003 Å
• c: 23.412 ± 0.005 Å
• α: 90°
• β: 95.37 ± 0.03°
• γ: 90°
• Cell volume: 7571 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No