Information card for entry 2241892

Structure parameters

• Common name: di[(μ-bromo)(η^5^-2-dimethylaminoindenyl)dibromozirconium(IV)]
• Chemical name: Di-μ-bromido-bis{dibromido[η^5^-2-(dimethylamino)indenyl]zirconium(IV)}
• Formula: C22 H24 Br6 N2 Zr2
• Calculated formula: C22 H24 Br6 N2 Zr2
• SMILES: [Zr]12345([Br][Zr]6789([Br]1)(Br)(Br)[c]1(N(C)C)[cH]6[c]67[c]8(cccc6)[cH]91)(Br)(Br)[c]1(N(C)C)[cH]2[c]23cccc[c]42[cH]51
• 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: 11.3275 ± 0.0006 Å
• b: 13.9365 ± 0.0007 Å
• c: 17.6082 ± 0.0009 Å
• α: 90°
• β: 99.028 ± 0.001°
• γ: 90°
• Cell volume: 2745.3 ± 0.2 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No