Information card for entry 4321490

Structure parameters

• Common name: (Br2MeSnCp)CpZrBr2 Sn-THF adduct
• Formula: C15 H20 Br4 O Sn Zr
• Calculated formula: C15 H20 Br4 O Sn Zr
• SMILES: [Sn](Br)(Br)([c]12[cH]3[Zr]4567891(Br)(Br)([cH]2[cH]4[cH]35)[cH]1[cH]6[cH]7[cH]8[cH]91)C.O1CCCC1
• Title of publication: Selective Tin-Carbon Bond Cleavage Reactions of Trimethylstannylzirconocene Dichloride with Electrophiles
• Authors of publication: Xu Cheng; Carla Slebodnick; Paul A. Deck; Damon R. Billodeaux; Frank R. Fronczek
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4921 - 4926
• a: 20.623 ± 0.0002 Å
• b: 8.333 ± 0.0002 Å
• c: 11.997 ± 0.0004 Å
• α: 90°
• β: 102.512 ± 0.001°
• γ: 90°
• Cell volume: 2012.74 ± 0.09 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No