Information card for entry 7244361

Structure parameters

• Common name: TPA_MFI
• Formula: C7.08 H15.34 B0.09 N0.59 O24 Si11.71
• Calculated formula: C7.08 H15.635 B0.0875 N0.59 O24 Si11.7138
• Title of publication: Anchoring Boron Atom to the Specific Tetrahedral Sites of Borosilicate MFI by Imidazolium-based Molecules
• Authors of publication: Ma, Yufang; Wang, Lei; Chen, Lei; Shen, Meikun; Yang, Xue; Wang, Tengteng; yuan, feixiang; Zhou, Yu; Wang, Jun; Zhu, Hongjun
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 20.0445 ± 0.0002 Å
• b: 19.9204 ± 0.0002 Å
• c: 13.3984 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5349.91 ± 0.09 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor R(I) for significantly intense reflections: 0.039
• Goodness-of-fit parameter for all reflections: 3.512
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6887 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No