Information card for entry 4077815

Structure parameters

• Formula: C38 H69 B20 Cl Er Na O3 Si2
• Calculated formula: C38 H69 B20 Cl Er Na O3 Si2
• SMILES: [Er]123456789([Cl][Na]([O]%10CCCC%10)([O]%10CCCC%10)[O]%10CCCC%10)([C]%10%11%12%13[C]%14%15%16([Si](C)(C)[c]%175[cH]6[cH]7[c]59cccc[c]8%175)[BH]56%10[BH]78%11[BH]9%10%12[BH]%11%13%14[BH]%12%13%10[BH]%1089[BH]867[BH]6%155[BH]%16%11%12[BH]%13%1086)[c]5([cH]1[cH]2[c]14[c]35cccc1)[Si]([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)C
• 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: 25.345 ± 0.0008 Å
• b: 12.299 ± 0.0003 Å
• c: 17.6292 ± 0.0006 Å
• α: 90°
• β: 100.52 ± 0.001°
• γ: 90°
• Cell volume: 5403 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.0865
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections: 0.2084
• Weighted residual factors for significantly intense reflections: 0.194
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No