Information card for entry 4076711

Structure parameters

• Formula: C46 H90 B22 Li N2 O6 Sm
• Calculated formula: C46 H90 B22 Li N2 O6 Sm
• SMILES: [Sm]123456789%10([C]%11%12%13%14[BH]%15%16%17[BH]%18%19%11[BH]%11%20%12[BH]%12%21%13[BH]%13%22%23[BH]%24%15([BH]%15%16%18[BH]%16%19%11[BH]%20%12%13[BH]%22%24%15%16)[C]%14%17%21%23B(N(C(C)C)C(C)C)[c]%111[cH]2[cH]3[c]15[c]4%11cccc1)[C]1234[BH]5%11%12[BH]%13%141[BH]1%152[BH]2%163[BH]3%17%18[BH]%195([BH]5%11%13[BH]%11%141[BH]%1523[BH]%17%195%11)[C]4%12%16%18B(N(C(C)C)C(C)C)[c]16[cH]7[cH]8[c]2%10cccc[c]912.[Li]123([O](C)CC[O]1C)([O](C)CC[O]2C)[O](C)CC[O]3C
• Title of publication: Synthesis, Structural Characterization, and Reactivity of Organolanthanide Complexes Derived from a New, Versatile Boron-Bridged Ligand,iPr2NB(C9H7)(C2B10H11)†
• Authors of publication: Zi, Guofu; Li, Hung-Wing; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1136
• a: 22.112 ± 0.0003 Å
• b: 21.537 ± 0.0004 Å
• c: 27.987 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13328.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0794
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1683
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No