Information card for entry 7116059

Structure parameters

• Formula: C55 H60 B Cl N2 O2 P3 Re
• Calculated formula: C55 H60 B Cl N2 O2 P3 Re
• Title of publication: Re and ^99m^Tc complexes of BodP3 - multi-modality imaging probes
• Authors of publication: Laura H. Davies; Benjamin B. Kasten; Paul D. Benny; Rory L. Arrowsmith; Haobo Ge'Sofia I. Pascu; Stan W. Botchway; William Clegg; Ross W. Harrington; Lee J. Higham
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 15503
• a: 8.1749 ± 0.0004 Å
• b: 10.0931 ± 0.0004 Å
• c: 33.0892 ± 0.0012 Å
• α: 90°
• β: 91.786 ± 0.004°
• γ: 90°
• Cell volume: 2728.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0392
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No