Information card for entry 1544060

Structure parameters

• Chemical name: (η^5^-2,4-Dimethylcyclopenta[<i>b</i>]indolyl)(η^5^-pentamethylcyclopentadienyl)zirconium(IV) dichloride
• Formula: C23 H27 Cl2 N Zr
• Calculated formula: C23 H27 Cl2 N Zr
• SMILES: [Zr]12345678(Cl)(Cl)([c]9%10[c]4([cH]3[c]2([cH]1%10)C)c1ccccc1N9C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: (η5-2,4-Dimethylcyclopenta[b]indolyl)(η5-pentamethylcyclopentadienyl)zirconium(IV) dichloride
• Authors of publication: Medvedev, Michael G.; Ryabov, Alexey N.; Uborsky, Dmitry V.; Kononovich, Dmitry S.; Izmer, Vyatcheslav V.; Voskoboynikov, Alexander Z.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 9
• a: 15.9363 ± 0.0008 Å
• b: 15.9363 ± 0.0008 Å
• c: 16.8801 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4287 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes