Information card for entry 7119297

Structure parameters

• Chemical name: Compound1
• Formula: C19 H20 Cl2 F6 Ge N4 O6 S2
• Calculated formula: C19 H20 Cl2 F6 Ge N4 O6 S2
• SMILES: [Ge]123[N](=C(c4[n]2cccc4)C)CC[N]1=C(c1[n]3cccc1)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.ClCCl
• Title of publication: Direct coordination of a germanium(ii) dicationic center to transition metals.
• Authors of publication: Raut, Ravindra K.; Majumdar, Moumita
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 1467 - 1469
• a: 8.4372 ± 0.0005 Å
• b: 13.0507 ± 0.0008 Å
• c: 13.307 ± 0.0008 Å
• α: 69.771 ± 0.003°
• β: 85.531 ± 0.003°
• γ: 81.999 ± 0.003°
• Cell volume: 1360.79 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No