Information card for entry 4115148

Structure parameters

• Formula: C33 H40 B F4 N3 O2 P2 S2 Tc
• Calculated formula: C32.5 H34 B F4 N3 O1.25 P2 S2 Tc
• Title of publication: Chemistry of the Strong Electrophilic Metal Fragment [99Tc(N)(PXP)]2+ (PXP = Diphosphine Ligand). A Novel Tool for the Selective Labeling of Small Molecules
• Authors of publication: Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Francesco Tisato; Fiorenzo Refosco; Aldo Cagnolini; Adriano Duatti; Sushumna Prakash; Giuliano Bandoli; Andrea Vittadini
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 11468 - 11479
• a: 16.405 ± 0.003 Å
• b: 15.042 ± 0.003 Å
• c: 15.228 ± 0.003 Å
• α: 90°
• β: 97.39 ± 0.03°
• γ: 90°
• Cell volume: 3726.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No