Information card for entry 7004162

Structure parameters

• Formula: C19 H32 Cl N Si2 Zr
• Calculated formula: C19 H32 Cl N Si2 Zr
• SMILES: [Zr]123456789(N([Si]([c]%101[cH]2[cH]3[cH]4[cH]5%10)(C)C)C(C)(C)C)(Cl)[cH]1[cH]6[cH]7[cH]8[c]91[Si](C)(C)C
• Title of publication: Olefin isomerisation versus hydrozirconation: a case of a stable β-hydrogen-containing Zr-alkyl derivative
• Authors of publication: Petrisor, Cristina E.; Frutos, Luis Manuel; Castaño, Obis; Mosquera, Marta E. G.; Royo, Eva; Cuenca, Tomás
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 20
• Pages of publication: 2670 - 2673
• a: 7.362 ± 0.0013 Å
• b: 9.208 ± 0.001 Å
• c: 17.513 ± 0.0014 Å
• α: 86.139 ± 0.01°
• β: 85.044 ± 0.009°
• γ: 76.824 ± 0.012°
• Cell volume: 1150.2 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1227
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.2559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No