Information card for entry 7124952

Structure parameters

• Common name: [Tc(NO)(Cp)(Ph)(PPh3)]
• Chemical name: hapto5-cyclopentadienylphenyl triphenylphosphinenitrosyl technetium(I)
• Formula: C29 H25 N O P Tc
• Calculated formula: C29 H25 N O 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: 9.179 ± 0.001 Å
• b: 13.937 ± 0.001 Å
• c: 10.048 ± 0.007 Å
• α: 90°
• β: 112.89 ± 0.02°
• γ: 90°
• Cell volume: 1184.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0144
• Residual factor for significantly intense reflections: 0.0141
• Weighted residual factors for significantly intense reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.714
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No