Information card for entry 4087427

Structure parameters

• Formula: C60 H62 Ir2 N4 O2 Si2
• Calculated formula: C60 H62 Ir2 N4 O2 Si2
• SMILES: c1cccc2c3ccccc3[Ir]34([n]12)([n]1ccccc1c1ccccc31)C#[C]([Ir]12([n]3ccccc3c3ccccc13)([n]1ccccc1c1ccccc21)C#[C]4[Si](C)(C)C)[Si](C)(C)C.O=C(C)C.O=C(C)C
• Title of publication: Synthesis, Characterization, and Properties of Doubly Alkynyl Bridging Dinuclear Cyclometalated Iridium(III) Complexes
• Authors of publication: Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 9
• Pages of publication: 1766
• a: 10.3227 ± 0.0004 Å
• b: 11.3061 ± 0.0008 Å
• c: 12.6139 ± 0.0009 Å
• α: 71.462 ± 0.003°
• β: 77.313 ± 0.004°
• γ: 71.342 ± 0.004°
• Cell volume: 1310.98 ± 0.15 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No