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Information card for entry 7050479
Preview
Coordinates | 7050479.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C84 H68 N12 Yb |
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Calculated formula | C84 N12 Yb |
SMILES | c12=Nc3c4cc5c(cc4c4=Nc6n7[Yb]89%10%11(n1c(=Nc1c%12cc%13ccccc%13cc%12c(=Nc7c7c6cc6c(c7)cccc6)[n]81)c1c2cc2c(c1)cccc2)([n]34)[n]1c2=Cc3n%10c(c(c3CC)CC)C=c3[n]%11c(C=c4n9c(=Cc1c(c2CC)CC)c(c4CC)CC)c(c3CC)CC)cccc5 |
Title of publication | Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands |
Authors of publication | Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 5 |
Pages of publication | 844 |
a | 28.739 ± 0.006 Å |
b | 26.832 ± 0.005 Å |
c | 10.866 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8379 ± 3 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.1665 |
Residual factor for significantly intense reflections | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.044 |
Weighted residual factors for all reflections included in the refinement | 0.0715 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.644 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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