Information card for entry 2215991

Structure parameters

• Chemical name: Dibromido(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)titanium(IV)
• Formula: C13 H14 Br2 Ti
• Calculated formula: C13 H14 Br2 Ti
• SMILES: [c]123[cH]4[cH]5[cH]6[Ti]789%10245(Br)([c]2(C1(C)C)[cH]7[cH]8[cH]9[cH]%102)([cH]36)Br
• Title of publication: Dibromido(η^5^,η^5^-propane-2,2-diyldicyclopentadienyl)titanium(IV)
• Authors of publication: Erben, Milan; Císařová, Ivana; Dušek, Michal; Vinklárek, Jaromír; Picka, Michal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: m2699 - m2699
• a: 13.189 ± 0.0004 Å
• b: 9.718 ± 0.0003 Å
• c: 10.82 ± 0.0003 Å
• α: 90°
• β: 112.08 ± 0.0018°
• γ: 90°
• Cell volume: 1285.1 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.058
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1423
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes