Information card for entry 7027184

Structure parameters

• Chemical name: Dicloro-{3S-(R-methylamino)pyrrolidine}palladium(II)
• Formula: C5 H12 Cl2 N2 Pd
• Calculated formula: C5 H12 Cl2 N2 Pd
• SMILES: [Pd]1(Cl)(Cl)[NH]2CC[C@H]([NH]1C)C2
• Title of publication: Co-ordination chemistry of 3S-aminopyrrolidine and 3S-(methylamino)pyrrolidine: crystallisation of the two diastereomers of dichloro[3S-(R,S-methylamino)pyrrolidine]palladium(II)
• Authors of publication: Newman, Paul D.; Hursthouse, Michael B.; Malik, K. M. Abdul
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 4
• Pages of publication: 599
• a: 7.2131 ± 0.0004 Å
• b: 10.595 ± 0.002 Å
• c: 11.664 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 891.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0234
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0544
• Goodness-of-fit parameter for all reflections: 0.898
• Goodness-of-fit parameter for significantly intense reflections: 0.897
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No