Information card for entry 4067384

Structure parameters

• Formula: C34 H66 Cl2 N4 Si4 Zr2
• Calculated formula: C34 H66 Cl2 N4 Si4 Zr2
• SMILES: [c]123[c]45[cH]6[cH]7[cH]1[Zr]13567(N(C(C)(C)C)[Si]2(C)C)(N([Si]4(C)C)C(C)(C)C)[Cl][Zr]234567([c]8([c]6([cH]2[cH]7[cH]38)[Si](C)(C)N5C(C)(C)C)[Si](C)(C)N4C(C)(C)C)[Cl]1
• 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: 8.6471 ± 0.0006 Å
• b: 9.6723 ± 0.0007 Å
• c: 14.0541 ± 0.0016 Å
• α: 72.632 ± 0.007°
• β: 78.161 ± 0.007°
• γ: 74.737 ± 0.005°
• Cell volume: 1072.01 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0436
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No