Information card for entry 4301496

Structure parameters

• Formula: C28 H43 B Cl Er N6 O2
• Calculated formula: C28 H43 B Cl Er N6 O2
• SMILES: [Er]123456(Cl)([n]7n([BH](n8[n]1c(cc8C)C)n1[n]2c(cc1C)C)c(cc7C)C)([O]1CCCC1)[cH]1[cH]3[cH]4[cH]5[cH]61.O1CCCC1
• Title of publication: Synthesis of Mixed Cp/TpMe2 Lanthanide Complexes from Lanthanocene Precursors and their Structures and Reactivities
• Authors of publication: Fuyan Han; Jie Zhang; Yanan Han; Zhengxing Zhang; Zhenxia Chen; Linhong Weng; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1774 - 1781
• a: 10.057 ± 0.016 Å
• b: 16.81 ± 0.03 Å
• c: 18.39 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3109 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0527
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No