Information card for entry 4074282

Structure parameters

• Formula: C16 H23 I3 Ir2 O2
• Calculated formula: C16 H23 I3 Ir2 O2
• SMILES: O(CC[c]12[cH]3[Ir]4562([cH]([cH]14)[cH]36)([I][Ir]1234([H]5)([c]5([cH]1[cH]2[cH]3[cH]45)CCOC)I)I)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: 13.9744 ± 0.0013 Å
• b: 14.0514 ± 0.0013 Å
• c: 10.1937 ± 0.001 Å
• α: 90°
• β: 96.276 ± 0.002°
• γ: 90°
• Cell volume: 1989.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0468
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No