Information card for entry 1565357

Structure parameters

• Formula: C15 H16 Cl F3 Ge N2 O5 S
• Calculated formula: C15 H16 Cl F3 Ge N2 O5 S
• SMILES: [Ge]1(Cl)[N](=C(c2occc2)C)CC[N]1=C(c1occc1)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Versatile binding modes of acyclic N2X2 (X = O, S and P) ligands towards [GeCl]+ and AuCl units
• Authors of publication: Maurya, Devesh; Karmakar, Joy; Sahoo, Padmini; Raut, Ravindra K.; Majumdar, Moumita
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119380
• a: 7.5503 ± 0.0006 Å
• b: 14.6538 ± 0.0012 Å
• c: 17.5447 ± 0.0014 Å
• α: 90°
• β: 90.498 ± 0.004°
• γ: 90°
• Cell volume: 1941.1 ± 0.3 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: 0.0682
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No