Information card for entry 7023890

Structure parameters

• Formula: C34 H62 Cl2 N4 Si4 Zr
• Calculated formula: C34 H62 Cl2 N4 Si4 Zr
• SMILES: [Zr]12(Cl)(Cl)([N]([Si](C)(C)C)=C(N1[Si](C)(C)C)c1ccc(cc1)CCCC)[N]([Si](C)(C)C)=C(N2[Si](C)(C)C)c1ccc(cc1)CCCC
• Title of publication: Polymerization of propylene promoted by zirconium benzamidinates.
• Authors of publication: Aharonovich, Sinai; Kulkarni, Naveen V.; Zhang, Jia-Sheng; Botoshansky, Mark; Kapon, Moshe; Eisen, Moris S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 48
• Pages of publication: 16762 - 16772
• a: 18.858 ± 0.0002 Å
• b: 22.13 ± 0.0003 Å
• c: 32.63 ± 0.0004 Å
• α: 90°
• β: 98.515 ± 0.0011°
• γ: 90°
• Cell volume: 13467.3 ± 0.3 ų
• Cell temperature: 230 ± 0.1 K
• Ambient diffraction temperature: 230 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.1379
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.164
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No