Information card for entry 4072170

Structure parameters

• Formula: C50 H88 B20 K La O7
• Calculated formula: C50 H88 B20 K La O7
• SMILES: [La]123456789%10([C]%11%12%13%14[C]%15%16%17([c]%181[c]12cccc[c]1%10[cH]3[cH]4%18)[BH]12%14[BH]34%17[BH]%10%14%15[BH]%15%11%16[BH]%11%16%14[BH]%144%10[BH]423[BH]2%121[BH]%13%15%11[BH]%16%1442)([C]1234[C]%10%11%12([c]%135[c]56cccc[c]75[cH]8[cH]9%13)[BH]561[BH]17%10[BH]89%11[BH]%102%12[BH]2%119[BH]978[BH]761[BH]135[BH]4%102[BH]%11971)[O]1CCCC1.[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2−
• Authors of publication: Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 20
• Pages of publication: 5309
• a: 10.95 ± 0.002 Å
• b: 17.141 ± 0.003 Å
• c: 20.219 ± 0.004 Å
• α: 69.65 ± 0.03°
• β: 84.14 ± 0.03°
• γ: 82.15 ± 0.03°
• Cell volume: 3518.7 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0917
• Weighted residual factors for significantly intense reflections: 0.2508
• Weighted residual factors for all reflections included in the refinement: 0.2745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No