Information card for entry 4071834

Structure parameters

• Formula: C24 H38 Cl5 Ir2 N3
• Calculated formula: C24 H38 Cl5 Ir2 N3
• SMILES: [Ir]1234(Cl)(=C5N(C(=[Ir]678(Cl)[CH]9=[CH]6CC[CH]7=[CH]8CC9)N(N5C)C)C)(Cl)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.ClCCl
• Title of publication: Homo- and Heterodinuclear Complexes with Triazolyl-diylidene. An Easy Approach to Tandem Catalysts⊥
• Authors of publication: Zanardi, Alessandro; Corberán, Rosa; Mata, José A.; Peris, Eduardo
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 14
• Pages of publication: 3570
• a: 12.5314 ± 0.0006 Å
• b: 15.3256 ± 0.0007 Å
• c: 16.6218 ± 0.0008 Å
• α: 90°
• β: 106.641 ± 0.001°
• γ: 90°
• Cell volume: 3058.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0699
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No