Information card for entry 4307180

Structure parameters

• Formula: C39 H39 N6 Yb3
• Calculated formula: C39 H39 N6 Yb3
• SMILES: [Yb]123456789(n%10c[n]([Yb]%11%12%13%14%15%16%17%18(n%19c[n]([Yb]%20%21%22%23%24%25%26%27(n%28c[n]1cc%28)([cH]1[cH]%23[cH]%22[cH]%21[cH]%201)[cH]1[cH]%27[cH]%26[cH]%25[cH]%241)cc%19)([cH]1[cH]%14[cH]%13[cH]%12[cH]%111)[cH]1[cH]%15[cH]%16[cH]%17[cH]%181)cc%10)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: Facile Construction of Lanthanide Metallomacrocycles with the Bridging Imidazolate and Triazolate Ligands and Their Ring Expansions
• Authors of publication: Jie Zhang; Ruifang Cai; Zhenxia Chen; Xigeng Zhou
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 321 - 327
• a: 8.166 ± 0.011 Å
• b: 13.243 ± 0.017 Å
• c: 17.79 ± 0.02 Å
• α: 76.911 ± 0.015°
• β: 87.722 ± 0.016°
• γ: 74.166 ± 0.016°
• Cell volume: 1802 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.136
• Residual factor for significantly intense reflections: 0.1157
• Weighted residual factors for significantly intense reflections: 0.2971
• Weighted residual factors for all reflections included in the refinement: 0.3125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No