Information card for entry 4334987

Structure parameters

• Formula: Br25 Na Tc12
• Calculated formula: Br25 Na Tc12
• SMILES: [Br]1[Tc]234(Br)[Br][Tc]562([Tc]278([Br][Tc]932(Br)[Br][Tc]89([Tc]145([Br]6)Br)([Br]7)Br)Br)Br.[Na+].[Br-].Br[Tc]1234[Br][Tc]564(Br)[Br][Tc]36(Br)([Br]1)[Tc]134([Br][Tc]654([Br][Tc]236([Br]1)Br)Br)Br
• Title of publication: A Trigonal-Prismatic Hexanuclear Technetium(II) Bromide Cluster: Solid-State Synthesis and Crystallographic and Electronic Structure
• Authors of publication: Erik V. Johnstone; Daniel J. Grant; Frederic Poineau; Laura Fox; Paul M. Forster; Longzou Ma; Laura Gagliardi; Kenneth R. Czerwinski; Alfred P. Sattelberger
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5660 - 5662
• a: 9.5173 ± 0.0005 Å
• b: 10.5233 ± 0.0006 Å
• c: 11.1412 ± 0.0006 Å
• α: 83.67 ± 0.001°
• β: 73.729 ± 0.001°
• γ: 87.488 ± 0.001°
• Cell volume: 1064.51 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No