Information card for entry 4077023

Structure parameters

• Formula: C8 H16 Cl2 N2 Pd
• Calculated formula: C8 H16 Cl2 N2 Pd
• SMILES: C1CC[C@H]2[C@H]3[NH]1[Pd](Cl)(Cl)[NH]2CCC3.C1CC[C@@H]2[C@@H]3[NH]1[Pd](Cl)(Cl)[NH]2CCC3
• Title of publication: Copper(II) Complexes of Novel 1,5-Diaza-cis-decalin Diamine Ligands: An Investigation of Structure and Reactivity
• Authors of publication: Kozlowski, Marisa C.; Li, Xiaolin; Carroll, Patrick J.; Xu, Zhenrong
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 21
• Pages of publication: 4513
• a: 7.843 ± 0.004 Å
• b: 11.556 ± 0.006 Å
• c: 12.868 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1166.3 ± 1 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.1002
• Goodness-of-fit parameter for all reflections: 1.239
• Goodness-of-fit parameter for significantly intense reflections: 1.288
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No