Information card for entry 1565358

Structure parameters

• Formula: C13 H14 Cl F3 Ge N2 O3 S5
• Calculated formula: C13 H14 Cl F3 Ge N2 O3 S5
• SMILES: C1=CSC(=C(C)N2CCN(C(C)=C3SC=CS3)[Ge+]2Cl)S1.C(F)(F)(F)S(=O)(=O)[O-]
• 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: 27.431 ± 0.005 Å
• b: 9.877 ± 0.0016 Å
• c: 15.399 ± 0.003 Å
• α: 90°
• β: 106.732 ± 0.008°
• γ: 90°
• Cell volume: 3995.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0985
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2334
• Weighted residual factors for all reflections included in the refinement: 0.2494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No