Information card for entry 7038978

Structure parameters

• Formula: C17 H1.96 B F6.04 O18.96 Tc5
• Calculated formula: C17 H1.97 B F6.03 O18.97 Tc5
• Title of publication: Does [TcF(CO)5] exist? The crystal and molecular structure of [Tc(CO)3(OH)0.49F0.51]4·[Tc(CO)5(BF4)].
• Authors of publication: Stepanova, E. S.; Gurzhiy, V. V.; Tyupina, M. Yu; Miroslavov, A. E.; Sidorenko, G. V.; Lumpov, A. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8428 - 8432
• a: 14.052 ± 0.0015 Å
• b: 9.0526 ± 0.001 Å
• c: 26.357 ± 0.003 Å
• α: 90°
• β: 98.553 ± 0.002°
• γ: 90°
• Cell volume: 3315.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No