Information card for entry 2241893

Structure parameters

• Common name: bis(η^5^-2-dimethylaminoindenyl)dibromozirconium(IV)
• Chemical name: Dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)#
• Formula: C22 H24 Br2 N2 Zr
• Calculated formula: C22 H24 Br2 N2 Zr
• SMILES: [c]12([cH]3[c]45cccc[c]56[cH]1[Zr]15782346(Br)([cH]2[c]5([cH]7[c]38[c]12cccc3)N(C)C)Br)N(C)C
• Title of publication: Crystal structures of di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)} and dibromidobis[η^5^-2-(dimethylamino)indenyl]zirconium(IV)
• Authors of publication: Medvedev, Michael G.; Borisov, Ilya S.; Kulyabin, Pavel S.; Izmer, Vyatcheslav V.; Kononovich, Dmitry S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 1599 - 1602
• a: 18.4476 ± 0.0005 Å
• b: 8.3497 ± 0.0002 Å
• c: 14.3737 ± 0.0004 Å
• α: 90°
• β: 111.854 ± 0.001°
• γ: 90°
• Cell volume: 2054.9 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0161
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No