Information card for entry 7036341

Structure parameters

• Formula: C20 H21 B Cl2 N2 O5 Pd
• Calculated formula: C20 H21 B Cl2 N2 O5 Pd
• SMILES: B1(c2cc(ccc2)[N]2=Cc3cccc[n]3[Pd]2(Cl)Cl)O[C@@H]2[C@@H]3[C@@H](OC(C)(C)O3)O[C@@H]2CO1
• Title of publication: Sugar-boronate ester scaffold tethered pyridyl-imine palladium(ii) complexes: synthesis and their in vitro anticancer evaluation.
• Authors of publication: Reddy, Eda Rami; Trivedi, Rajiv; Sarma, Akella Venkata Subrahmanya; Sridhar, Balasubramanian; Anantaraju, Hasitha Shilpa; Sriram, Dharmarajan; Yogeeswari, Perumal; Nagesh, Narayana
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 40
• Pages of publication: 17600 - 17616
• a: 9.8914 ± 0.0011 Å
• b: 10.6681 ± 0.0012 Å
• c: 22.2 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2342.6 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• 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: 0.0225
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No