Information card for entry 4350311

Structure parameters

• Formula: C51 H57 N7 O14 Zn2
• Calculated formula: C51 H57 N7 O14 Zn2
• Title of publication: Hydrogen adsorption in an interpenetrated dynamic metal-organic framework.
• Authors of publication: Chen, Banglin; Ma, Shengqian; Zapata, Fatima; Lobkovsky, Emil B.; Yang, Jun
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5718 - 5720
• a: 16.1578 ± 0.0005 Å
• b: 18.807 ± 0.0006 Å
• c: 18.1039 ± 0.0005 Å
• α: 90°
• β: 92.615 ± 0.001°
• γ: 90°
• Cell volume: 5495.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No