Information card for entry 4315258

Structure parameters

• Common name: Mg(OTcO3)2(THF)4
• Formula: C16 H32 Mg O12 Tc2
• Calculated formula: C16 H32 Mg O12 Tc2
• SMILES: O([Mg]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)(O[Tc](=O)(=O)=O)[O]1CCCC1)[Tc](=O)(=O)=O
• Title of publication: Synthesis, Characterization, and Structures of R3EOTcO3 Complexes (E = C, Si, Ge, Sn, Pb) and Related Compounds
• Authors of publication: Elisabeth Oehlke; Roger Alberto; Ulrich Abram
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 3525 - 3530
• a: 10.322 ± 0.005 Å
• b: 16.501 ± 0.008 Å
• c: 14.416 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2455 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.209
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No