Information card for entry 7201684

Structure parameters

• Formula: C15 H28 F6 N3 O P Pd
• Calculated formula: C15 H28 F6 N3 O P Pd
• SMILES: [Pd]12([N](CC[N]1(C)C)(C)C)[NH2][C@@H](c1c2cc(OC)cc1)C.[P](F)(F)(F)(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: 7.598 ± 0.0005 Å
• b: 20.5971 ± 0.0014 Å
• c: 13.8222 ± 0.0009 Å
• α: 90°
• β: 105.038 ± 0.002°
• γ: 90°
• Cell volume: 2089.1 ± 0.2 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.0956
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No