Information card for entry 4342081

Structure parameters

• Formula: C14.5 H11 N2 O6.5 Re
• Calculated formula: C14.5 H11 N2 O6.5 Re
• Title of publication: Influence of Functionalized Pyridine Ligands on the Radio/Chemical Behavior of [M(I)(CO)3](+) (M = Re and (99m)Tc) 2 + 1 Complexes.
• Authors of publication: Hayes, Thomas R.; Lyon, Patrice A.; Barnes, Charles L.; Trabue, Steven; Benny, Paul D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1528 - 1534
• a: 7.5221 ± 0.0008 Å
• b: 7.8492 ± 0.0009 Å
• c: 13.7338 ± 0.0015 Å
• α: 97.731 ± 0.001°
• β: 97.263 ± 0.001°
• γ: 92.335 ± 0.001°
• Cell volume: 795.68 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0177
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No