Information card for entry 4077818

Structure parameters

• Formula: C24 H63 B20 Cl2 O5 Y
• Calculated formula: C24 H59 B20 Cl2 O5 Y
• SMILES: [Y](Cl)(Cl)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[C]1234([CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]291[BH]168[BH]734[BH]5%1121)[C]123[CH]456[BH]781[BH]192[BH]2%103[BH]34[BH]4%115[BH]567[BH]681[BH]192[BH]%1034[BH]%11561
• Title of publication: Cyclopentadienyl vs Indenyl Substituents. Organolanthanide Complexes and Biscarborane Compounds Derived from a Versatile Ligand, Me2Si(C9H7)(C2B10H11)
• Authors of publication: Wang, Shaowu; Yang, Qingchuan; Mak, Thomas C. W.; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 22
• Pages of publication: 4478
• a: 13.116 ± 0.0012 Å
• b: 13.857 ± 0.0012 Å
• c: 15.356 ± 0.0015 Å
• α: 93.093 ± 0.01°
• β: 107.58 ± 0.003°
• γ: 102.41 ± 0.009°
• Cell volume: 2577.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1245
• Residual factor for significantly intense reflections: 0.1079
• Weighted residual factors for significantly intense reflections: 0.2765
• Weighted residual factors for all reflections included in the refinement: 0.299
• 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