Information card for entry 4335017

Structure parameters

• Formula: C49 H51 Co Dy N8 O9 P3
• Calculated formula: C49 H51 Co Dy N8 O9 P3
• SMILES: [Dy]12345(O[P]([Co]6789([P](OCC)(OCC)O1)([P](OCC)(OCC)O2)[cH]1[cH]6[cH]7[cH]8[CH]91)(OCC)OCC)[n]1c2=Nc6n5c(N=c5[n]4c(N=c4n3c(=Nc1c1c2cccc1)c1ccccc41)c1ccccc51)c1ccccc61
• Title of publication: Syntheses, Structures, and Magnetic Properties of seven-coordinate Lanthanide Porphyrinate or Phthalocyaninate Complexes with Kläui's Tripodal Ligand
• Authors of publication: Feng Gao; Min-Xia Yao; Yu-Yang Li; Yi-Zhi Li; You Song; Jing-Lin Zuo
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6407 - 6416
• a: 12.0106 ± 0.0014 Å
• b: 23.4836 ± 0.0013 Å
• c: 19.4434 ± 0.0011 Å
• α: 90°
• β: 107.286 ± 0.003°
• γ: 90°
• Cell volume: 5236.4 ± 0.7 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1351
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No