Information card for entry 4077814

Structure parameters

• Formula: C50 H92 B20 Na Nd O6 Si2
• Calculated formula: C50 H92 B20 Na Nd O6 Si2
• SMILES: [BH]1234[BH]567[BH]89%10[BH]%11%12%13[C]%143([BH]3%152[BH]216[BH]158[BH]5%10%13[BH]%12%143[BH]%15215)[Nd]123568%10%12%13([C]%14%15%16[BH]%17%18%19[BH]%20%21%22[BH]%23%24%25[BH]%26%16([C]%17%20%24[Si](C)(C)[c]%161[cH]3[cH]6[c]1%12[c]%10%16cccc1)[BH]13%14[BH]6%15%18[BH]%10%21%19[BH]%12%22%25[BH]%23%261[BH]36%10%12)[c]1([Si]([C]479%11)(C)C)[cH]2[cH]5[c]2%13cccc[c]812.[Na]([O]1CCCC1)([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: 31.167 ± 0.002 Å
• b: 10.995 ± 0.0006 Å
• c: 20.829 ± 0.0012 Å
• α: 90°
• β: 109.72 ± 0.003°
• γ: 90°
• Cell volume: 6719.1 ± 0.7 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: 0.0806
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.2219
• Weighted residual factors for all reflections included in the refinement: 0.2226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No