Information card for entry 4301698

Structure parameters

• Formula: C30 H48 Cl Ir Si Zr
• Calculated formula: C30 H3 Cl Ir Si Zr
• SMILES: C[Si]1(C)[c]23[c]4([c]5([c]6([c]3([Zr]37892456([IrH3]2456[c]%10([c]2([c]4([c]5([c]6%10C)C)C)C)C)([c]21[c]3([c]8([c]9([c]72C)C)C)C)Cl)C)C)C)C
• Title of publication: Zirconocene-Iridium Hydrido Complexes: Arene Carbon-Hydrogen Bond Activation and Formation of a Planar Square Zr2Ir2 Complex
• Authors of publication: Masataka Oishi; Hiroharu Suzuki
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2349 - 2351
• a: 24.5058 ± 0.0007 Å
• b: 14.734 ± 0.0005 Å
• c: 8.4995 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3068.9 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No