Information card for entry 4118167

Structure parameters

• Formula: C58 H134 N Si18 Sn2 Ti2
• Calculated formula: C58 H134 N Si18 Sn2 Ti2
• SMILES: [Ti]12345678([Sn]9[Si]([Si]([Si]([Si]9([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([Sn]9[Si]([Si]([Si]([Si]9([Si](C)(C)C)[Si](C)(C)C)(C)C)(C)C)([Si](C)(C)C)[Si](C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]8[cH]7[cH]6[cH]51.[Ti]12345678(N([Si](C)(C)C)[Si](C)(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: Coordination Chemistry of Cyclic Disilylated Stannylenes and Plumbylenes to Group 4 Metallocenes
• Authors of publication: Henning Arp; Judith Baumgartner; Christoph Marschner; Patrick Zark; Thomas Müller
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 10864 - 10875
• a: 25.784 ± 0.005 Å
• b: 27.759 ± 0.006 Å
• c: 13.721 ± 0.003 Å
• α: 90°
• β: 103.55 ± 0.03°
• γ: 90°
• Cell volume: 9547 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1291
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No