Information card for entry 7018572

Structure parameters

• Formula: C4 H D0.53 Fe O4.05
• Calculated formula: C4 H D0.53 Fe O4.06
• Title of publication: Hydrogen adsorption in the metal-organic frameworks Fe(2)(dobdc) and Fe(2)(O(2))(dobdc).
• Authors of publication: Queen, Wendy L.; Bloch, Eric D.; Brown, Craig M.; Hudson, Matthew R.; Mason, Jarad A.; Murray, Leslie J.; Ramirez-Cuesta, Anibal Javier; Peterson, Vanessa K.; Long, Jeffrey R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4180 - 4187
• a: 25.9689 ± 0.0015 Å
• b: 25.9689 Å
• c: 6.8209 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3983.6 ± 0.6 ų
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No