Information card for entry 4516894

Structure parameters

• Formula: C30 H50 Br2 N6 Pd
• Calculated formula: C30 H50 Br2 N6 Pd
• SMILES: [Pd](Br)(Br)(=C1N(CC=C)C=NN1[C@@H]1[C@@H](CC[C@H](C1)C)C(C)C)=C1N(C=NN1[C@H]1C[C@@H](CC[C@H]1C(C)C)C)CC=C
• Title of publication: Potent Anticancer Activity with High Selectivity of a Chiral Palladium N-Heterocyclic Carbene Complex.
• Authors of publication: Kumar, Anuj; Naaz, Afsana; Prakasham, A. P.; Gangwar, Manoj Kumar; Butcher, Raymond J.; Panda, Dulal; Ghosh, Prasenjit
• Journal of publication: ACS omega
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 4632 - 4646
• a: 7.715 ± 0.004 Å
• b: 7.865 ± 0.004 Å
• c: 14.299 ± 0.007 Å
• α: 101.479 ± 0.008°
• β: 95.384 ± 0.005°
• γ: 90.079 ± 0.007°
• Cell volume: 846.4 ± 0.7 ų
• Cell temperature: 273 K
• Ambient diffraction temperature: 273 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No