Information card for entry 4338802

Structure parameters

• Formula: C33 H50 Ir N O Si Zr
• Calculated formula: C33 H50 Ir N O Si Zr
• SMILES: [IrH]123456([Zr]789%10%11%12%13([H]6)(N(C(C)(C)C)[Si]([c]67[c]8([c]9([c]%10([c]%116C)C)C)C)(C)C)Oc6c(cccc6)[CH]%12=[CH]5%13)[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: 30.9795 ± 0.001 Å
• b: 12.9965 ± 0.0004 Å
• c: 21.261 ± 0.0006 Å
• α: 90°
• β: 131.411 ± 0.0007°
• γ: 90°
• Cell volume: 6420 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0308
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No