Information card for entry 7710300

Structure parameters

• Formula: C25.49 H26.51 N3.5 O15.52 Zn2
• Calculated formula: C24 H14.007 N3 O11.0136 Zn2
• Title of publication: Three-pole wheel paddle luminescent metal organic frameworks (LMOFs) based on the oxygen substituted triazine tricarboxylic acid ligand: recognition and detection of small drug molecules and aromatic amine molecules.
• Authors of publication: Xiao, Yao; You, Zi Xin; Xing, Yong Heng; Bai, Feng Ying; Shi, Zhan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2022
• Journal volume: 51
• Journal issue: 24
• Pages of publication: 9336 - 9347
• a: 16.8223 ± 0.0018 Å
• b: 16.8223 ± 0.0018 Å
• c: 6.8892 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1688.4 ± 0.4 ų
• Cell temperature: 301.26 K
• Ambient diffraction temperature: 301.26 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.1275
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.1733
• Weighted residual factors for all reflections included in the refinement: 0.2067
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No