Information card for entry 4307183

Structure parameters

• Formula: C60 H54 Dy3 N9 O3
• Calculated formula: C60 H54 Dy3 N9 O3
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Dy]16789%102345([cH]2[cH]1[cH]6[cH]7[cH]92)[n]1cn(C2N(c3ccccc3)[Dy]345679%11%12([cH]%13[cH]4[cH]5[cH]6[cH]3%13)([cH]3[cH]9[cH]%12[cH]%11[cH]73)([n]3cn(C4N(c5ccccc5)[Dy]5679%11%12%13%14([cH]%15[cH]6[cH]7[cH]9[cH]5%15)([cH]5[cH]%13[cH]%14[cH]%11[cH]%125)([n]5cn(C(=[O]8)N%10c6ccccc6)cc5)[O]=4)cc3)[O]=2)cc1
• 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: 30.575 ± 0.006 Å
• b: 30.575 ± 0.006 Å
• c: 13.945 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11290 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1266
• Residual factor for significantly intense reflections: 0.0769
• Weighted residual factors for significantly intense reflections: 0.2403
• Weighted residual factors for all reflections included in the refinement: 0.2903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No