Information card for entry 7215398

Structure parameters

• Formula: C120 H99 N6 O25.5 Pr2 S6
• Calculated formula: C120 H84 N6 O25.5 Pr2 S6
• Title of publication: New luminescent complexes for recognition and reversible sensing small molecules
• Authors of publication: Fu, Ruibiao; Hu, Shengmin; Wu, Xintao
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 20
• Pages of publication: 6007
• a: 24.0813 ± 0.0015 Å
• b: 16.5778 ± 0.0007 Å
• c: 28.3107 ± 0.0018 Å
• α: 90°
• β: 100.055 ± 0.003°
• γ: 90°
• Cell volume: 11128.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0892
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No