Information card for entry 4315161

Structure parameters

• Formula: C72 H124 B4 Cl4 Er3 K N26 Si4
• Calculated formula: C72 H124 B4 Cl4 Er3 K N26 Si4
• SMILES: [BH]12n3c(C)cc(C)[n]3[Er]34([n]5n2c(C)cc5C)([n]2n([BH](n5c(C)cc(C)[n]35)n3c(C)cc(C)[n]43)c(C)cc2C)[n]2n1c(C)cc2C.Cc1cc([n]2n1[BH]1n3c(C)cc(C)[n]3[Er]2([n]2c(C)cc(n12)C)(N([Si](C)(C)C)[Si](C)(C)C)(Cl)Cl)C.[BH]12n3c(C)cc(C)[n]3[Er]([n]3c(cc(C)n13)C)([n]1n2c(C)cc1C)(N([Si](C)(C)C)[Si](C)(C)C)(Cl)Cl.[K+]
• Title of publication: γ-Deprotonation of Anionic Bis(trimethylsilyl)amidolanthanide Complexes with a Countered [(TpMe2)2Ln]+ Cation
• Authors of publication: Fuyan Han; Jie Zhang; Weiyin Yi; Zhengxing Zhang; Jingyi Yu; Linhong Weng; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 2793 - 2798
• a: 12.2692 ± 0.0018 Å
• b: 14.675 ± 0.002 Å
• c: 18.683 ± 0.003 Å
• α: 112.109 ± 0.001°
• β: 102.518 ± 0.002°
• γ: 92.641 ± 0.002°
• Cell volume: 3012 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No