Information card for entry 7100580

Structure parameters

• Formula: C30 H30 N10 O3
• Calculated formula: C30 H29.5 N10 O3
• Title of publication: A coordinatively saturated sulfate encapsulated in a metal-organic framework functionalized with urea hydrogen-bonding groups
• Authors of publication: Radu Custelcean; Benjamin Hay; B.A. Moyer
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 13.0827 ± 0.0018 Å
• b: 13.993 ± 0.002 Å
• c: 18.274 ± 0.003 Å
• α: 73.362 ± 0.003°
• β: 85.694 ± 0.003°
• γ: 63.147 ± 0.002°
• Cell volume: 2853.9 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No