Information card for entry 7201685

Structure parameters

• Formula: C15 H26 F3 N3 O3 Pd S
• Calculated formula: C15 H26 F3 N3 O3 Pd S
• SMILES: [Pd]12([NH2]C(c3c2cccc3)C)[N](CC[N]1(C)C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: A robust conglomerate structure type in salts of cationic organopalladium complexes and non-coordinating anions
• Authors of publication: Kalf, Irmgard; Wang, Ruimin; Englert, Ulli
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 39
• a: 11.6744 ± 0.0017 Å
• b: 14.108 ± 0.002 Å
• c: 11.9538 ± 0.0018 Å
• α: 90°
• β: 96.137 ± 0.004°
• γ: 90°
• Cell volume: 1957.5 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No