Information card for entry 4516896

Structure parameters

• Formula: C38 H54 Br2 N6 Pd
• Calculated formula: C38 H54 Br2 N6 Pd
• SMILES: [Pd](Br)(Br)(=C1N(N=CN1Cc1ccccc1)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)=C1N(N=CN1Cc1ccccc1)[C@@H]1C[C@@H](C)CC[C@@H]1C(C)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: 11.565 ± 0.003 Å
• b: 13.039 ± 0.003 Å
• c: 13.719 ± 0.003 Å
• α: 98.396 ± 0.004°
• β: 95.925 ± 0.004°
• γ: 101.192 ± 0.003°
• Cell volume: 1989.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0564
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No