Information card for entry 4341714

Structure parameters

• Chemical name: (η^5^-pentamethylcyclopentadienyl)- (methyl 1-butyl-2-pyridyl-benzimidazole carboxylate-κC,N)- chlorido-iridium(III) hexafluoridophosphate dichloromethane solvate
• Formula: C29 H36 Cl3 F6 Ir N3 O2 P
• Calculated formula: C29 H36 Cl3 F6 Ir N3 O2 P
• Title of publication: Synthesis of 2-Pyridyl-benzimidazole Iridium(III), Ruthenium(II), and Platinum(II) Complexes. Study of the Activity as Inhibitors of Amyloid-β Aggregation and Neurotoxicity Evaluation.
• Authors of publication: Yellol, Gorakh S.; Yellol, Jyoti G.; Kenche, Vijaya B.; Liu, Xiang Ming; Barnham, Kevin J.; Donaire, Antonio; Janiak, Christoph; Ruiz, José
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 2
• Pages of publication: 470 - 475
• a: 8.3118 ± 0.0004 Å
• b: 11.8165 ± 0.0005 Å
• c: 16.9769 ± 0.0008 Å
• α: 91.208 ± 0.001°
• β: 90.048 ± 0.001°
• γ: 100.29 ± 0.001°
• Cell volume: 1640.21 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0203
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No