Information card for entry 2100158

Structure parameters

• Chemical name: Ethylenebis(1-indenyl)zirconium dichloride
• Formula: C20 H16 Cl2 Zr
• Calculated formula: C20 H16 Cl2 Zr
• SMILES: c1[c]23[c]4(ccc1)[Zr]1356789%10([c]4([cH]5[cH]26)CC[c]21[cH]9[cH]7[c]%101[c]82cccc1)(Cl)Cl
• Title of publication: Atomic interactions in ethylenebis(1-indenyl)zirconium dichloride as derived by experimental electron density analysis
• Authors of publication: Stash, Adam I.; Tanaka, Kiyoaki; Shiozawa, Kazunari; Makino, Hitoshi; Tsirelson, Vladimir G.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: 418 - 428
• a: 15.387 ± 0.0005 Å
• b: 10.512 ± 0.0005 Å
• c: 11.927 ± 0.0005 Å
• α: 90°
• β: 121.85 ± 0.01°
• γ: 90°
• Cell volume: 1638.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0339
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No