Information card for entry 4518816

Structure parameters

• Chemical name: C10H18Ba2N8O16P4
• Formula: C10 H20 Ba2 N8 O16 P4
• Calculated formula: C10 H20 Ba2 N8 O16 P4
• Title of publication: Robust Barium Phosphonate Metal‒Organic Frameworks Synthesized under Aqueous Conditions
• Authors of publication: Salmeia, Khalifah A.; Dolabella, Simone; Parida, Dambarudhar; Frankcombe, Terry J.; Afaneh, Akef T.; Cordova, Kyle E.; Al-Maythalony, Bassem; Zhao, Shanyu; Civioc, Romain; Marashdeh, Ali; Spingler, Bernhard; Frison, Ruggero; Neels, Antonia
• Journal of publication: ACS Materials Letters
• Year of publication: 2021
• Pages of publication: 1010 - 1015
• a: 14.0869 ± 0.0011 Å
• b: 13.5308 ± 0.001 Å
• c: 7.0893 ± 0.0005 Å
• α: 90°
• β: 104.185 ± 0.006°
• γ: 90°
• Cell volume: 1310.07 ± 0.17 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No