Information card for entry 4118164

Structure parameters

• Formula: C32 H73 P Pb Si8 Ti
• Calculated formula: C32 H73 P Pb Si8 Ti
• SMILES: [Ti]12345678([Pb]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)([P](CC)(CC)CC)([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: 11.95 ± 0.002 Å
• b: 12.274 ± 0.003 Å
• c: 19.463 ± 0.004 Å
• α: 84.78 ± 0.03°
• β: 84.62 ± 0.03°
• γ: 66.66 ± 0.03°
• Cell volume: 2605 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0388
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0849
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 0.846
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No