Information card for entry 4516893

Structure parameters

• Formula: C28 H50 Br2 N6 Pd
• Calculated formula: C28 H50 Br2 N6 Pd
• SMILES: C1(N([C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)N=CN1CC)=[Pd](=C1N([C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)N=CN1CC)(Br)Br
• 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: 8.095 ± 0.002 Å
• b: 14.812 ± 0.004 Å
• c: 15.641 ± 0.004 Å
• α: 66.874 ± 0.012°
• β: 76.588 ± 0.014°
• γ: 77.346 ± 0.014°
• Cell volume: 1660.4 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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 all reflections: 0.033
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No