Information card for entry 4518815

Structure parameters

• Chemical name: C10H36Ba2N8O24P4
• Formula: C10 H36 Ba2 N8 O24 P4
• Calculated formula: C10 H36 Ba2 N8 O24 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: 7.42689 ± 0.0001 Å
• b: 8.53905 ± 0.00015 Å
• c: 13.3756 ± 0.0002 Å
• α: 82.1589 ± 0.0014°
• β: 76.4697 ± 0.0013°
• γ: 88.4765 ± 0.0012°
• Cell volume: 817 ± 0.02 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0179
• Residual factor for significantly intense reflections: 0.0161
• Weighted residual factors for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No