Information card for entry 7005274

Structure parameters

• Formula: C16 H27 Br Ge Sn W
• Calculated formula: C16 H27 Br Ge Sn W
• SMILES: [W]12345678([Sn](Br)(CC)CC)([GeH](C)C)([cH]9[cH]1[cH]2[cH]3[cH]49)[cH]1[cH]5[cH]6[cH]7[cH]81
• Title of publication: Synthesis and structural studies of germyl and germyl/stannyl substituted tungstenocenes
• Authors of publication: Khalimon, Andrey Yu.; Dorogov, Konstantin Yu.; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Lemenovskii, Dmitry A.; Howard, Judith A. K.; Nikonov, Georgii I.
• Journal of publication: Dalton Transactions
• Year of publication: 2007
• Journal issue: 23
• Pages of publication: 2440
• a: 10.5494 ± 0.0003 Å
• b: 13.8654 ± 0.0004 Å
• c: 13.0943 ± 0.0004 Å
• α: 90°
• β: 97.093 ± 0.001°
• γ: 90°
• Cell volume: 1900.67 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No