Information card for entry 4000986

Structure parameters

• Formula: C32 H38 Cl2 Zr
• Calculated formula: C32 H38 Cl2 Zr
• SMILES: [Zr]123456789(Cl)(Cl)[c]%10([c]%111cccc[c]2%11[c]13[c]4%10cccc1)C(C)(C)[c]15[cH]6[c]7([cH]8[cH]91)C1(C)CCC(CC1)C(C)(C)C
• Title of publication: Polypropylene Nanocomposites Based on Designed Synthetic Nanoplatelets
• Authors of publication: Sun, Luyi; Liu, Jia; Kirumakki, Sharath R.; Schwerdtfeger, Eric D.; Howell, Robert J.; Al-Bahily, Khalid; Miller, Stephen A.; Clearfield, Abraham; Sue, Hung-Jue
• Journal of publication: Chemistry of Materials
• Year of publication: 2009
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1154
• a: 9.146 ± 0.002 Å
• b: 9.965 ± 0.002 Å
• c: 17.876 ± 0.004 Å
• α: 103.623 ± 0.003°
• β: 91.975 ± 0.003°
• γ: 116.457 ± 0.003°
• Cell volume: 1399.2 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No