Information card for entry 7119298

Structure parameters

• Formula: C17 H18 Cl F3 Ge N4 O3 S
• Calculated formula: C17 H18 Cl F3 Ge N4 O3 S
• SMILES: [Ge]1(Cl)[N](=C(c2ncccc2)C)CC[N]1=C(c1ncccc1)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 20.5748 ± 0.001 Å
• b: 13.4785 ± 0.0007 Å
• c: 14.7382 ± 0.0008 Å
• α: 90°
• β: 99.802 ± 0.003°
• γ: 90°
• Cell volume: 4027.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1397
• Weighted residual factors for all reflections included in the refinement: 0.1635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No