Information card for entry 4001301

Structure parameters

• Formula: C38 H34 N14 O14 Zn4
• Calculated formula: C38 H34 N14 O14 Zn4
• Title of publication: Synthesis, Structure Determination, and Hydrogen Sorption Studies of New Metal−Organic Frameworks Using Triazole and Naphthalenedicarboxylic Acid
• Authors of publication: Park, Hyunsoo; Britten, James F.; Mueller, Ulrich; Lee, JeongYong; Li, Jing; Parise, John B.
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 6
• Pages of publication: 1302
• a: 30.978 ± 0.006 Å
• b: 12.62 ± 0.003 Å
• c: 13.339 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5215 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.117
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.2743
• Weighted residual factors for all reflections included in the refinement: 0.2837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.236
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.49594 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No