Information card for entry 7705888

Structure parameters

• Formula: C30 H32 Cl3 Ir N4
• Calculated formula: C30 H32 Cl3 Ir N4
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Ir]2345(Cl)(Cl)Cl)C)C)C)C.c1n(c2ccccc2)c(n[n+]1c1ccccc1)Nc1ccccc1
• Title of publication: C-C coupling formation using nitron complexes.
• Authors of publication: Sevim, Mehmet; Kavukcu, Serdar Batıkan; Kınal, Armağan; Şahin, Onur; Türkmen, Hayati
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 46
• Pages of publication: 16903 - 16915
• a: 9.9976 ± 0.0009 Å
• b: 11.8767 ± 0.0012 Å
• c: 13.6237 ± 0.0014 Å
• α: 98.645 ± 0.004°
• β: 96.039 ± 0.005°
• γ: 110.163 ± 0.004°
• Cell volume: 1479.6 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No