Information card for entry 4342671

Structure parameters

• Formula: C90 H154 Ce2 K2 O14 Si8
• Calculated formula: C90 H154 Ce2 K2 O14 Si8
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Ce]16789%10%11%122345([cH]2[cH]1[cH]6[cH]7[cH]82)([cH]1[cH]9[cH]%10[cH]%11[cH]%121)[Si]([Si](C)(C)[Si](C)(C)[Si]([Ce]123456789%10%11%12([cH]%13[cH]1[cH]2[cH]3[cH]4%13)([cH]1[cH]5[cH]6[cH]7[cH]81)[cH]1[cH]9[cH]%10[cH]%11[cH]%121)([Si](C)(C)C)[Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1ccccc1.[K]12345([O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6)[O]1CCCC1.c1ccccc1
• Title of publication: Open-Shell Lanthanide(II+) or -(III+) Complexes Bearing σ-Silyl and Silylene Ligands: Synthesis, Structure, and Bonding Analysis.
• Authors of publication: Zitz, Rainer; Arp, Henning; Hlina, Johann; Walewska, Małgorzata; Marschner, Christoph; Szilvási, Tibor; Blom, Burgert; Baumgartner, Judith
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 7
• Pages of publication: 3306 - 3315
• a: 13.057 ± 0.003 Å
• b: 14.966 ± 0.003 Å
• c: 15.668 ± 0.003 Å
• α: 95.37 ± 0.03°
• β: 113.07 ± 0.03°
• γ: 108.67 ± 0.03°
• Cell volume: 2583 ± 1.4 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: 0.0493
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No