Information card for entry 7226577

Structure parameters

• Formula: C19 H22 B Cl F4 N4 Ru
• Calculated formula: C19 H22 B Cl F4 N4 Ru
• SMILES: [Ru]123456(Cl)([n]7ccccc7c7[n]1c(ncc7)N)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C(C)C)C.[B](F)(F)(F)[F-]
• 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: 9.329 ± 0.0019 Å
• b: 10.369 ± 0.002 Å
• c: 11.557 ± 0.002 Å
• α: 94.36 ± 0.03°
• β: 96.55 ± 0.03°
• γ: 112.79 ± 0.03°
• Cell volume: 1015.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.61 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No