Information card for entry 2206393

Structure parameters

• Chemical name: Di-μ-chloro-bis[bis(cumylcyclopentadienyl)yttrium(III)]
• Formula: C56 H60 Cl2 Y2
• Calculated formula: C56 H60 Cl2 Y2
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]2[Y]267891345([cH]1[c]6([cH]8[cH]7[cH]21)C(C)(C)c1ccccc1)[Cl][Y]12345678([c]%10([cH]1[cH]2[cH]3[cH]4%10)C(C)(C)c1ccccc1)([c]1([cH]5[cH]6[cH]7[cH]81)C(C)(C)c1ccccc1)[Cl]9)C(C)(C)c1ccccc1
• Title of publication: Di-μ-chloro-bis[bis(cumylcyclopentadienyl)yttrium(III)]
• Authors of publication: Antonella Caterina Boccia; Fabia Grisi; Roberto Centore; Angela Tuzi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: m1449 - m1451
• a: 11.777 ± 0.001 Å
• b: 13.507 ± 0.003 Å
• c: 15.141 ± 0.005 Å
• α: 90°
• β: 95.81 ± 0.02°
• γ: 90°
• Cell volume: 2396.1 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1178
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes