Information card for entry 4338784

Structure parameters

• Formula: C25 H45 Cl Ir N Si Zr
• Calculated formula: C25 H45 Cl Ir N Si Zr
• SMILES: [Zr]12345678([Ir]9%10%11%12([H]1)([H]7)([H]8)[c]1([c]%11([c]%12([c]9([c]%101C)C)C)C)C)(Cl)N(C(C)(C)C)[Si]([c]12[c]3([c]4([c]5([c]61C)C)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: 31.6204 ± 0.0009 Å
• b: 11.1129 ± 0.0003 Å
• c: 18.5103 ± 0.0005 Å
• α: 90°
• β: 119.454 ± 0.0008°
• γ: 90°
• Cell volume: 5663.7 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.0202
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No