Information card for entry 4077816

Structure parameters

• Formula: C92 H156 B20 Er2 Na2 O13 Si4
• Calculated formula: C92 H156 B20 Er2 Na2 O13 Si4
• SMILES: C[Si]1(C)O[Er]23456789%10([C]%11%12%13[BH]%14%15%16[BH]%17%18%11[BH]%11%19%12[BH]%12%20%13[C]%13%16([BH]%16%21%14[BH]%14%18%17[BH]%17%15%11[BH]%11%19%12[BH]%20%13%16[BH]%17%14%21%11)[Si](C)(C)[c]2%11[cH]3[cH]4[c]28cccc[c]92%11)[c]2([cH]5[cH]6[c]37cccc[c]23%10)[Si](C)(C)O[Er]23456789%10([C]%11%12%13[BH]%14%15%16[BH]%17%18%11[BH]%11%19%12[BH]%12%20%13[C]%13%16([BH]%16%21%17[BH]%17%15%14[BH]%14%18%11[BH]%11%19%12[BH]%20%13%16[BH]%21%17%14%11)[Si](C)(C)[c]2%11[cH]3[cH]4[c]28cccc[c]29%11)[c]21[cH]5[cH]6[c]17[c]2%10cccc1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 31.82 ± 0.0014 Å
• b: 20.445 ± 0.0008 Å
• c: 19.202 ± 0.0008 Å
• α: 90°
• β: 115.19 ± 0.002°
• γ: 90°
• Cell volume: 11304.1 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0716
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections: 0.1376
• Weighted residual factors for significantly intense reflections: 0.1291
• Goodness-of-fit parameter for all reflections: 1.06
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No