Information card for entry 7003683

Structure parameters

• Formula: C123 H142 N15 O15 U2.5
• Calculated formula: C123 H142 N15 O15 U2.5
• 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: 40.592 ± 0.002 Å
• b: 16.1043 ± 0.0006 Å
• c: 17.9271 ± 0.0006 Å
• α: 90°
• β: 94.662 ± 0.002°
• γ: 90°
• Cell volume: 11680.3 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2297
• Residual factor for significantly intense reflections: 0.1031
• Weighted residual factors for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.517
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No