Information card for entry 7226576

Structure parameters

• Formula: C21 H27 Cl2 N3 O Ru
• Calculated formula: C21 H27 Cl2 N3 O Ru
• SMILES: [Ru]12345(Cl)(Cl)([NH2]C6C(=O)N(N(C=6C)C)c6ccccc6)[c]6(C)[cH]1[cH]2[c]3([cH]4[cH]56)C(C)C
• Title of publication: Arene Ruthenium (II) Complexes with Chalcone, Aminoantipyrine and Aminopyrimidine Based Ligands: Synthesis, Structure and Preliminary Evaluation of Anti-leukemia Activity
• Authors of publication: Pitchaimani, J.; Raja, MR Charan; Srinivasan, Sujatha; Kar Mahapatra, Santanu; Moon, Dohyun; Anthony, Savarimuthu Philip; Madhu, Vedichi
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 12.175 ± 0.002 Å
• b: 11.563 ± 0.002 Å
• c: 30.76 ± 0.006 Å
• α: 90°
• β: 97.18 ± 0.03°
• γ: 90°
• Cell volume: 4296.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0378
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0875
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No