Information card for entry 4074280

Structure parameters

• Formula: C16 H22 Cl4 Ir2 O2
• Calculated formula: C16 H22 Cl4 Ir2 O2
• SMILES: O(CC[c]12[cH]3[cH]4[cH]5[cH]1[Ir]12345([Cl][Ir]2345([c]6([cH]2[cH]3[cH]4[cH]56)CCOC)([Cl]1)Cl)Cl)C
• Title of publication: Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand†
• Authors of publication: Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 21
• Pages of publication: 5131
• a: 6.9056 ± 0.0006 Å
• b: 6.8752 ± 0.0006 Å
• c: 20.0834 ± 0.0017 Å
• α: 90°
• β: 91.165 ± 0.001°
• γ: 90°
• Cell volume: 953.31 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.0468
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No