Information card for entry 4338786

Structure parameters

• Formula: C31 H50 Ir N Si Zr
• Calculated formula: C31 H50 Ir N Si Zr
• SMILES: [Ir]1234567([Zr]89%10%11%12([H]5)([H]7)([H]6)(N(C(C)(C)C)[Si]([c]5%11[c]%12([c]8([c]9([c]%105C)C)C)C)(C)C)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: A study on zr-ir multiple bonding active for C-h bond cleavage.
• Authors of publication: Oishi, Masataka; Oshima, Masato; Suzuki, Hiroharu
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 13
• Pages of publication: 6634 - 6654
• a: 10.4622 ± 0.0008 Å
• b: 11.8335 ± 0.001 Å
• c: 13.4001 ± 0.0011 Å
• α: 106.412 ± 0.003°
• β: 90.183 ± 0.002°
• γ: 91.551 ± 0.002°
• Cell volume: 1590.7 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0304
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No