Information card for entry 4077672

Structure parameters

• Formula: C34 H46 Ba Si2
• Calculated formula: C34 H46 Ba Si2
• SMILES: [Ba]12345678([c]9([Si](C)(C)c%10ccccc%10)[c]1([c]2([c]3([c]49C)C)C)C)[c]1([Si](C)(C)c2ccccc2)[c]5([c]6([c]7([c]81C)C)C)C
• Title of publication: Homoleptic and Heteroleptic Barium Benzyl Complexes: Synthesis and Reactivity as Initiators for Anionic Styrene Polymerizations
• Authors of publication: Weeber, Armin; Harder, Sjoerd; Brintzinger, Hans H.; Knoll, Konrad
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 7
• Pages of publication: 1325
• a: 9.5596 ± 0.0008 Å
• b: 19.739 ± 0.004 Å
• c: 17.731 ± 0.002 Å
• α: 90°
• β: 104.555 ± 0.008°
• γ: 90°
• Cell volume: 3238.4 ± 0.8 ų
• Cell temperature: 243 K
• Ambient diffraction temperature: 243 K
• Number of distinct elements: 4
• 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: 0.057
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No