Information card for entry 7224604

Structure parameters

• Formula: C37 H23 N3 Ni2 O15 Si
• Calculated formula: C37 H23 N3 Ni2 O15.296 Si
• Title of publication: Assemblies of metal‒organic frameworks based on a tetrapodal linker for luminescence sensing of tetrahydrofuran
• Authors of publication: Gao, Chao-Ying; Wang, Dan; Li, Jian-Ping; Wang, Yuan; Yang, Weiting
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 2857
• a: 16.1582 ± 0.0011 Å
• b: 15.99 ± 0.001 Å
• c: 16.2334 ± 0.001 Å
• α: 90°
• β: 90.681 ± 0.002°
• γ: 90°
• Cell volume: 4193.9 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0679
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.175
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No