Information card for entry 7201678

Structure parameters

• Formula: C14 H25 B F5 N3 Pd
• Calculated formula: C14 H25 B F5 N3 Pd
• SMILES: [Pd]12([N](CC[N]1(C)C)(C)C)[NH2][C@@H](c1c2cc(F)cc1)C.[B](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: 8.9088 ± 0.0009 Å
• b: 9.5432 ± 0.001 Å
• c: 20.917 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.3 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.037
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No