Information card for entry 7003682

Structure parameters

• Formula: C48 H61 Cl2 N6 O4.5
• Calculated formula: C48 H60 Cl2 N6 O4.5
• Title of publication: Immobilization of a hexaphyrin(1.0.1.0.0.0) derivative onto a tentagel-amino resin and its use in uranyl cation detection
• Authors of publication: Melfi, Patricia J.; Camiolo, Salvatore; Lee, Jeong Tae; Ali, Mehnaaz F.; McDevitt, John T.; Lynch, Vincent M.; Sessler, Jonathan L.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1538 - 1540
• a: 25.8233 ± 0.0003 Å
• b: 10.4391 ± 0.001 Å
• c: 33.9936 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9163.7 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.2221
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1512
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No