Information card for entry 4503031

Structure parameters

• Formula: C18.5 H10 N4 O4 Zn
• Calculated formula: C18.47 H10 N3.74 O4 Zn
• Title of publication: Framework reduction and alkali-metal doping of a triply catenating metal-organic framework enhances and then diminishes H2 uptake.
• Authors of publication: Mulfort, Karen L.; Wilson, Thea M.; Wasielewski, Michael R.; Hupp, Joseph T.
• Journal of publication: Langmuir : the ACS journal of surfaces and colloids
• Year of publication: 2009
• Journal volume: 25
• Journal issue: 1
• Pages of publication: 503 - 508
• a: 7.815 ± 0.002 Å
• b: 10.746 ± 0.003 Å
• c: 13.028 ± 0.005 Å
• α: 70.845 ± 0.007°
• β: 72.778 ± 0.004°
• γ: 88.703 ± 0.005°
• Cell volume: 983.8 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1558
• Residual factor for significantly intense reflections: 0.1351
• Weighted residual factors for significantly intense reflections: 0.3601
• Weighted residual factors for all reflections included in the refinement: 0.3686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No