Information card for entry 7002849

Structure parameters

• Formula: C12 H36 Br2 P4 Tc
• Calculated formula: C12 H36 Br2 P4 Tc
• SMILES: [Tc]([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)([P](C)(C)C)(Br)Br
• Title of publication: Synthesis, structure, and first-principles calculations of [TcBr2(PMe3)4] and [Tc2Br4(PMe3)4] complexes
• Authors of publication: Poineau, Frederic; Weck, Philippe F.; Forster, Paul M.; Sattelberger, Alfred P.; Czerwinski, Kenneth R.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10338 - 10342
• a: 9.4771 ± 0.001 Å
• b: 9.4771 ± 0.001 Å
• c: 12.123 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1088.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No