Information card for entry 7063089

Structure parameters

• Formula: C36 H35 Cl F6 N3 P Ru
• Calculated formula: C36 H35 Cl F6 N3 P Ru
• SMILES: [Ru]123456(Cl)([N]7N(C(CC=7c7[n]1cccc7)c1ccc(cc1)c1ccccc1)c1ccccc1)[c]1([cH]2[cH]3[c]4([cH]5[cH]61)C)C(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Synthesis, characterization, and anticancer activity of Ru(p-cymene) complexes bearing pyrazolyl–pyridine type ligands
• Authors of publication: Mounica, Arangasamy; Kumar, Arumugam Madan; Bhuvanesh, Nattamai S. P.; Ganeshpandian, Mani
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 6392 - 6400
• a: 27.4244 ± 0.001 Å
• b: 10.1468 ± 0.0004 Å
• c: 26.5011 ± 0.001 Å
• α: 90°
• β: 110.591 ± 0.001°
• γ: 90°
• Cell volume: 6903.3 ± 0.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• 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: 0.0358
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No