Information card for entry 7131398

Structure parameters

• Formula: C114.75 H74 F52 N6 Na O7.5 Tc
• Calculated formula: C114.75 H74 F52 N6 Na O7.5 Tc
• Title of publication: Na[Tc(CO)(CN<i>p</i>-F-Ar^DArF2)₄]: an isocyanide analogue of the elusive Na[Tc(CO)₅].
• Authors of publication: Salsi, Federico; Hagenbach, Adelheid; Figueroa, Joshua S.; Abram, Ulrich
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 27
• Pages of publication: 4028 - 4031
• a: 21.071 ± 0.0004 Å
• b: 23.6777 ± 0.0004 Å
• c: 24.05 ± 0.0005 Å
• α: 90°
• β: 98.0673 ± 0.0012°
• γ: 90°
• Cell volume: 11880.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.2425
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No