Information card for entry 1557728

Structure parameters

• Common name: Dichlorobis(eta5-indenyl)zirconium(IV) [Zr(C5H5)2Cl2]
• Formula: C10 H10 Cl2 Zr
• Calculated formula: C10 Cl2 Zr
• SMILES: [Zr]12345678(Cl)(Cl)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Low-Temperature Crystal Structures of Dichlorobis(eta5-indenyl)zirconium(IV) at 153 K and Dichlorobis(eta5-cyclopentadienyl)zirconium(IV) at 193 K
• Authors of publication: Repo, Timo; Klinga, Martti; Mutikainen, Ilpo; Su, Yincai; Leskela, Markku; Polamo, Mika
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1996
• Journal volume: 50
• Pages of publication: 1116 - 1120
• a: 8.031 ± 0.004 Å
• b: 11.768 ± 0.004 Å
• c: 12.274 ± 0.004 Å
• α: 70.63 ± 0.03°
• β: 103.26 ± 0.04°
• γ: 92.86 ± 0.02°
• Cell volume: 1064.7 ± 0.8 ų
• Ambient diffraction temperature: 193 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: 0.0373
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No