Information card for entry 7054929

Structure parameters

• Formula: C22 H26 Cl Ir N2 O
• Calculated formula: C22 H26 Cl Ir N2 O
• SMILES: [Ir]12345(Cl)(c6c(N7C=1N(C=C7)C)ccc(c6)C(=O)C)[c]1([c]2([c]4([c]5([c]31C)C)C)C)C
• Title of publication: Catalytic applications of magnetic nanoparticles functionalized using iridium N-heterocyclic carbene complexes
• Authors of publication: Iglesias, Diego; Sabater, Sara; Azua, Arturo; Mata, Jose A.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 8
• Pages of publication: 6437
• a: 8.4814 ± 0.0003 Å
• b: 11.4048 ± 0.0004 Å
• c: 11.4291 ± 0.0004 Å
• α: 96.622 ± 0.003°
• β: 99.334 ± 0.003°
• γ: 104.274 ± 0.003°
• Cell volume: 1043.17 ± 0.07 ų
• Cell temperature: 200 ± 0.1 K
• Ambient diffraction temperature: 200 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No