Information card for entry 4076716

Structure parameters

• Formula: C29 H60 B11 N2 Nd O2 Si2
• Calculated formula: C29 H60 B11 N2 Nd O2 Si2
• SMILES: [Nd]12345(N([SiH](C)C)[SiH](C)C)([O]6CCCC6)([O]6CCCC6)[C]6789[C]%10%11%12(B(N(C(C)C)C(C)C)[c]%132[cH]3[cH]4[c]21cccc[c]5%132)[BH]236[BH]147[BH]568[BH]79%10[BH]896[BH]645[BH]431[BH]1%112[BH]%1278[BH]9641
• 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: 11.5048 ± 0.0007 Å
• b: 11.8508 ± 0.0007 Å
• c: 16.412 ± 0.001 Å
• α: 101.567 ± 0.001°
• β: 99.879 ± 0.001°
• γ: 98.588 ± 0.001°
• Cell volume: 2120.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No