Information card for entry 4067651

Structure parameters

• Formula: C41 H61 Er Li N3 O3
• Calculated formula: C41 H61 Er Li N3 O3
• SMILES: [Er]123456789([N](=C(N1C1CCCCC1)N([Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)c1ccccc1)C1CCCCC1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Synthesis and Reactivities of Guanidinate Dianion Complexes of Heterobimetallic Lanthanide−Lithium Cp2Ln[(CyN)2CNPh]Li(THF)3
• Authors of publication: Zheng, Pengzhi; Hong, Jianquan; Liu, Ruiting; Zhang, Zhengxing; Pang, Zhen; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1284
• a: 11.133 ± 0.004 Å
• b: 11.607 ± 0.004 Å
• c: 19.284 ± 0.007 Å
• α: 100.09 ± 0.005°
• β: 90.057 ± 0.005°
• γ: 109.79 ± 0.005°
• Cell volume: 2303.6 ± 1.4 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: 0.057
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1549
• Weighted residual factors for all reflections included in the refinement: 0.1644
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No