Information card for entry 7124953

Structure parameters

• Common name: [Tc(NO)Br3(OPPh3)2]
• Chemical name: Tribromidobistriphenylphosphine oxid nitrosyl technetium(II)
• Formula: C36.5 H31 Br3 Cl N O3 P2 Tc
• Calculated formula: C36.5 H31 Br3 Cl N O3 P2 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: 12.551 ± 0.001 Å
• b: 14.394 ± 0.001 Å
• c: 44.488 ± 0.004 Å
• α: 90°
• β: 97.55 ± 0.01°
• γ: 90°
• Cell volume: 7967.5 ± 1.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.177
• Residual factor for significantly intense reflections: 0.0673
• Weighted residual factors for significantly intense reflections: 0.1388
• Weighted residual factors for all reflections included in the refinement: 0.1782
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No