Information card for entry 7248440

Structure parameters

• Chemical name: (H2dobpdc)(GuaH)2
• Formula: C16 H20 N6 O6
• Calculated formula: C16 H20 N6 O6
• Title of publication: A highly stable hydrogen-bonded organic framework for hydrogen storage
• Authors of publication: Song, Jeong Hwa; Jeon, Byeong Hak; Kang, Dong Won
• Journal of publication: CrystEngComm
• Year of publication: 2024
• a: 4.804 ± 0.001 Å
• b: 18.247 ± 0.004 Å
• c: 9.818 ± 0.002 Å
• α: 90°
• β: 104 ± 0.03°
• γ: 90°
• Cell volume: 835.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0818
• Residual factor for significantly intense reflections: 0.0806
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.7 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No