Information card for entry 4301491

Structure parameters

• Formula: C25 H32 B Er N6
• Calculated formula: C25 H32 B Er N6
• SMILES: [Er]123456789([n]%10n([BH](n%11[n]1c(cc%11C)C)n1nc(cc1C)C)c(C)cc%10C)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]9[cH]8[cH]7[cH]61
• 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: 8.627 ± 0.007 Å
• b: 21.432 ± 0.017 Å
• c: 12.849 ± 0.01 Å
• α: 90°
• β: 96.412 ± 0.01°
• γ: 90°
• Cell volume: 2361 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No