Information card for entry 7131399

Structure parameters

• Formula: C93 H32 F52 N4 O Tc
• Calculated formula: C93 H32 F52 N4 O 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: 14.324 ± 0.01 Å
• b: 15.26 ± 0.009 Å
• c: 21.51 ± 0.014 Å
• α: 84.718 ± 0.019°
• β: 86.25 ± 0.02°
• γ: 73.327 ± 0.019°
• Cell volume: 4481 ± 5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No