Information card for entry 7002935

Structure parameters

• Formula: C62 H60 Cl2 Hg N8 O10 S4
• Calculated formula: C62 H60 Cl2 Hg N8 O10 S4
• Title of publication: Structural modification of rhodamine-based sensors toward highly selective mercury detection in mixed organic/aqueous media
• Authors of publication: Huang, Wei; Zhu, Xiang; Wua, Dayu; He, Cheng; Hu, Xiaoyue; Duan, Chunying
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10457 - 10465
• a: 12.543 ± 0.002 Å
• b: 14.862 ± 0.002 Å
• c: 19.312 ± 0.003 Å
• α: 88.467 ± 0.009°
• β: 85.772 ± 0.01°
• γ: 68.025 ± 0.009°
• Cell volume: 3329.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1398
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No