Information card for entry 7703810

Structure parameters

• Formula: C24 H30 Cl2 Ir N3 O
• Calculated formula: C24 H30 Cl2 Ir N3 O
• SMILES: [Ir]12345(Cl)([c]6([c]1([c]4([c]3([c]26C)C)C)C)C)[n]1c(cccc1)c1[n]5c2c(n1CC)cccc2.O.[Cl-]
• Title of publication: Antimicrobial properties of half-sandwich Ir(iii) cyclopentadienyl complexes with pyridylbenzimidazole ligands.
• Authors of publication: Mansour, Ahmed M.; Radacki, Krzysztof
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 14
• Pages of publication: 4491 - 4501
• a: 18.634 ± 0.005 Å
• b: 7.2576 ± 0.0014 Å
• c: 19.698 ± 0.005 Å
• α: 90°
• β: 117.131 ± 0.01°
• γ: 90°
• Cell volume: 2370.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.019
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.0418
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No