Information card for entry 1575345

Structure parameters

• Chemical name: HIAM-4062
• Formula: C68 H53 N5 O21 S Zr3
• Calculated formula: C63 H42 N4 O20 S Zr3
• Title of publication: A hexatopic-carboxylate-based <b>csq</b> type luminescent zirconium-organic framework for the detection of glutathione.
• Authors of publication: Chu, Jin-Peng; Ma, Zhen-Sha; Xia, Jun; Zhou, Kang; Zhang, Zhi-Qiang; Liu, Xiao-Yuan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 35
• Pages of publication: 13035 - 13039
• a: 40.0687 ± 0.0013 Å
• b: 40.0687 ± 0.0013 Å
• c: 20.3005 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 28226 ± 2 ų
• Cell temperature: 193.15 K
• Ambient diffraction temperature: 193.15 K
• Number of distinct elements: 6
• Space group number: 191
• Hermann-Mauguin space group symbol: P 6/m m m
• Hall space group symbol: -P 6 2
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No