Information card for entry 7023889

Structure parameters

• Formula: C30 H54 Cl2 N4 Si4 Zr
• Calculated formula: C30 H54 Cl2 N4 Si4 Zr
• SMILES: C1(c2ccc(cc2)CC)=[N]([Zr]2(N1[Si](C)(C)C)([N](=C(c1ccc(cc1)CC)N2[Si](C)(C)C)[Si](C)(C)C)(Cl)Cl)[Si](C)(C)C
• 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: 28.354 ± 0.0011 Å
• b: 8.849 ± 0.0005 Å
• c: 20.408 ± 0.001 Å
• α: 90°
• β: 128.046 ± 0.003°
• γ: 90°
• Cell volume: 4032.4 ± 0.4 ų
• Cell temperature: 230 ± 0.1 K
• Ambient diffraction temperature: 230 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No