Information card for entry 4336818

Structure parameters

• Formula: C42 H36 N2 O6
• Calculated formula: C42 H36 N2 O6
• Title of publication: Selective Hg2+ Sensing Behaviors of Rhodamine Derivatives with Extended Conjugation Based on Two Successive Ring-Opening Processes
• Authors of publication: Chunyan Wang; Keith Man-Chung Wong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13432 - 13441
• a: 14.8537 ± 0.001 Å
• b: 19.568 ± 0.0013 Å
• c: 12.1682 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3536.8 ± 0.4 ų
• Cell temperature: 305 ± 2 K
• Ambient diffraction temperature: 305 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1084
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No