Information card for entry 2103790

Structure parameters

• Chemical name: (S!C$)-trans-bis(mu!2$-Chloro)-bis(N,N-dimethyl-1-(2-naphthyl)ethylamine-C,N)- -dipalladium(ii) monohydrate
• Formula: C28 H34 Cl2 N2 O Pd2
• Calculated formula: C28 H32 Cl2 N2 O Pd2
• SMILES: [Pd]12([Cl][Pd]3([Cl]1)[N]([C@H](c1c3cc3ccccc3c1)C)(C)C)[N]([C@H](c1c2cc2ccccc2c1)C)(C)C.O
• Title of publication: 22 Space-group changes
• Authors of publication: Clemente, Dore Augusto; Marzotto, Armando
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 1
• Pages of publication: 43 - 50
• a: 6.6179 ± 0.0007 Å
• b: 12.924 ± 0.002 Å
• c: 35.545 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3040.2 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0073
• Residual factor for significantly intense reflections: 0.0073
• Weighted residual factors for significantly intense reflections: 0.0415
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 0.357
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No