Information card for entry 4072243

Structure parameters

• Formula: C36 H56 Cl8 Ir2 N4 O8
• Calculated formula: C36 H56 Cl8 Ir2 N4 O8
• SMILES: C1(=O)O[Ir]2345(=C6N(C=CN6C)CCN6C(N(C=C6)C)=[Ir]6789%10([c]%11([c]6([c]7([c]9([c]%10%11C)C)C)C)C)OC(=O)O8)([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)O1.O.C(Cl)Cl.C(Cl)Cl.O.C(Cl)Cl.C(Cl)Cl
• Title of publication: Synthesis and Characterization of Binuclear Half-Sandwich Iridium and Rhodium Carbene Complexes Containing 1,2-Dichalcogenolato Carborane or Carbonato Ligands
• Authors of publication: Jia, Wei-Guo; Han, Ying-Feng; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 6035
• a: 12.514 ± 0.004 Å
• b: 11.847 ± 0.004 Å
• c: 17.498 ± 0.006 Å
• α: 90°
• β: 108.541 ± 0.004°
• γ: 90°
• Cell volume: 2459.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No