Information card for entry 7036377

Structure parameters

• Formula: C30.25 H45 Cl2 N4 O Pd
• Calculated formula: C28 H40 Cl2 N4 O Pd
• SMILES: [Pd]1(Cl)(Cl)[N]([C@H]([C@@H]([NH2]1)c1ccccc1)c1ccccc1)=C1N(C(=C(N1C(C)C)C)C)C(C)C.O=C(C)C
• Title of publication: Palladium(ii) complexes with highly basic imidazolin-2-imines and their reactivity toward small bio-molecules.
• Authors of publication: Bogojeski, Jovana; Volbeda, Jeroen; Freytag, Matthias; Tamm, Matthias; Bugarčić, Živadin D
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 39
• Pages of publication: 17346 - 17359
• a: 14.8839 ± 0.0003 Å
• b: 28.4936 ± 0.0009 Å
• c: 30.6466 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12997.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0402
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No