Information card for entry 4307181

Structure parameters

• Formula: C72 H92 Dy4 N8 O5
• Calculated formula: C72 H92 Dy4 N8 O5
• SMILES: [Dy]123456789([O]%10CCCC%10)([cH]%10[cH]2[cH]3[cH]4[cH]5%10)([cH]2[cH]9[cH]8[cH]7[cH]62)n2c[n](cc2)[Dy]23456789([cH]%10[cH]2[cH]3[cH]4[cH]5%10)([cH]2[cH]6[cH]7[cH]8[cH]92)([O]2CCCC2)n2c[n](cc2)[Dy]23456789([cH]%10[cH]2[cH]3[cH]4[cH]5%10)([cH]2[cH]6[cH]7[cH]8[cH]92)([O]2CCCC2)n2c[n](cc2)[Dy]23456789(n%10c[n]1cc%10)([cH]1[cH]2[cH]3[cH]4[cH]51)([cH]1[cH]6[cH]7[cH]8[cH]91)[O]1CCCC1.O1CCCC1
• 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: 15.476 ± 0.014 Å
• b: 16.26 ± 0.015 Å
• c: 17.212 ± 0.016 Å
• α: 102.261 ± 0.013°
• β: 105.411 ± 0.013°
• γ: 115.058 ± 0.012°
• Cell volume: 3511 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.2097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No