Information card for entry 7115291

Structure parameters

• Formula: C14 H14 F6 Ge N2 O6 S2
• Calculated formula: C14 H14 F6 Ge N2 O6 S2
• SMILES: [Ge]1([n]2ccccc2c2[n]1cccc2)(C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Exploring structural trends for complexes of Me2E(OSO2CF3)2 (E = Si, Ge, Sn) with pyridine derivatives
• Authors of publication: Alasdair P. M. Robertson; Jordan N. Friedmann; Hilary A. Jenkins; Neil Burford
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7979
• a: 7.7487 ± 0.0002 Å
• b: 11.1678 ± 0.0003 Å
• c: 12.422 ± 0.0003 Å
• α: 110.419 ± 0.001°
• β: 95.688 ± 0.001°
• γ: 95.436 ± 0.001°
• Cell volume: 992.76 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No