Information card for entry 7124951

Structure parameters

• Common name: [Tc(NO)(CO)(PPh3)]BF4
• Chemical name: hapto5-cyclopentadienylcarbonyl triphenylphosphinenitrosyl technetium(I)
• Formula: C24 H20 B F4 N O2 P Tc
• Calculated formula: C24 H20 B F4 N O2 P Tc
• Title of publication: {Tc(NO)(Cp)(PPh3)}(+) - a novel technetium(i) core.
• Authors of publication: Ackermann, J.; Hagenbach, A.; Abram, U.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 67
• Pages of publication: 10285 - 10288
• a: 9.27 ± 0.001 Å
• b: 17.374 ± 0.001 Å
• c: 14.27 ± 0.001 Å
• α: 90°
• β: 100.29 ± 0.01°
• γ: 90°
• Cell volume: 2261.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0362
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No