Information card for entry 7025568

Structure parameters

• Formula: C50 H76 Cl5 Li Lu2 N2 O4
• Calculated formula: C50 H76 Cl5 Li Lu2 N2 O4
• SMILES: [c]12([c]3([c]4([c]5([c]61c1c(cccc1)[N](C)(C)[Lu]17823456[Cl]2[Li]3([Cl]1[Lu]145692([c]2([c]1([c]5([c]6([c]42C)C)C)c1ccccc1[N]9(C)C)C)([Cl]7)[Cl]3)([Cl]8)([O]1CCCC1)[O]1CCCC1)C)C)C)C.C1CCCO1.C1CCCO1
• Title of publication: Synthesis of linked half sandwich rare-earth metal chlorido and borohydrido complexes and their catalytic behavior towards MMA polymerization.
• Authors of publication: Jian, Zhongbao; Zhao, Wei; Liu, Xinli; Chen, Xuesi; Tang, Tao; Cui, Dongmei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 29
• Pages of publication: 6871 - 6876
• a: 12.5151 ± 0.0008 Å
• b: 14.198 ± 0.0009 Å
• c: 15.5689 ± 0.001 Å
• α: 88.699 ± 0.001°
• β: 80.886 ± 0.001°
• γ: 84.254 ± 0.001°
• Cell volume: 2717.7 ± 0.3 ų
• Cell temperature: 186.5 K
• Ambient diffraction temperature: 186.5 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: 0.0455
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No