Information card for entry 4077817

Structure parameters

• Formula: C28 H71 B20 Cl2 Er O6
• Calculated formula: C28 H67 B20 Cl2 Er O6
• SMILES: [Er](Cl)(Cl)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1.[C]1234([CH]567[BH]891[BH]1%102[BH]2%113[BH]345[BH]45%11[BH]%11%102[BH]281[BH]179[BH]634[BH]5%1121)C1[BH]234[BH]56[BH]78[CH]9%10[BH]%1112[BH]129[BH]97%10[BH]758[BH]536[BH]4%111[BH]2975
• 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: 13.108 ± 0.0006 Å
• b: 13.844 ± 0.0009 Å
• c: 15.449 ± 0.001 Å
• α: 93.218 ± 0.002°
• β: 107.62 ± 0.004°
• γ: 102.27 ± 0.005°
• Cell volume: 2589 ± 0.3 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: 0.066
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections: 0.19
• Weighted residual factors for significantly intense reflections: 0.1728
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No