Information card for entry 4067385

Structure parameters

• Formula: C18 H36 N2 Si2 Zr
• Calculated formula: C18 H36 N2 Si2 Zr
• SMILES: C[Zr]123456N(C(C)(C)C)[Si]([c]74[cH]6[cH]5[cH]1[c]72[Si](N3C(C)(C)C)(C)C)(C)C
• Title of publication: Regioselective Synthesis of 1,2- and 1,3-Di(silylamido)cyclopentadienyl Zirconium Complexes
• Authors of publication: Sudupe, María; Cano, Jesús; Royo, Pascual; Mosquera, Marta E. G.; Frutos, Luis M.; Castaño, Obis
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 1
• Pages of publication: 263
• a: 10.9417 ± 0.0011 Å
• b: 13.1856 ± 0.0015 Å
• c: 16.3703 ± 0.0006 Å
• α: 90°
• β: 108.379 ± 0.007°
• γ: 90°
• Cell volume: 2241.3 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0523
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No