Information card for entry 4074785

Structure parameters

• Formula: C58 H98 Cl2 N4 Sn2 Zr2
• Calculated formula: C58 H98 Cl2 N4 Sn2 Zr2
• Title of publication: Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium
• Authors of publication: Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 531
• a: 18.6067 ± 0.0007 Å
• b: 9.7437 ± 0.0004 Å
• c: 34.78 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6305.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No