Information card for entry 4336966

Structure parameters

• Formula: C27 H30 Cl3 N2 Rh S
• Calculated formula: C27 H30 Cl3 N2 Rh S
• SMILES: [Rh]12345([c]6([c]4([c]2([c]3([c]16C)C)C)C)C)([n]1c(=C(c2cccn52)c2ccc(cc2)SC)ccc1)Cl.ClCCl
• Title of publication: DNA/Protein Binding, Molecular Docking, and in Vitro Anticancer Activity of Some Thioether-Dipyrrinato Complexes
• Authors of publication: Rakesh Kumar Gupta; Gunjan Sharma; Rampal Pandey; Amit Kumar; Biplob Koch; Pei-Zhou Li; Qiang Xu; Daya Shankar Pandey
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13984 - 13996
• a: 8.975 ± 0.0018 Å
• b: 22.519 ± 0.005 Å
• c: 14.075 ± 0.003 Å
• α: 90°
• β: 101.92 ± 0.03°
• γ: 90°
• Cell volume: 2783.3 ± 1.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1543
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No