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Information card for entry 7005338
Preview
Coordinates | 7005338.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C116 H152 N12 S4 Yb4 |
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Calculated formula | C116 H152 N12 S4 Yb4 |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Yb]167892345([cH]2[cH]7[cH]8[cH]9[cH]62)[N](c2ccc(S[Yb]3456789%10([N](c%11ccc(S[Yb]%12%13%14%15%16%17%18%19([cH]%20[cH]%12[cH]%13[cH]%14[cH]%15%20)([cH]%12[cH]%16[cH]%17[cH]%18[cH]%19%12)[N](c%12ccc(S[Yb]%13%14%15%16%17%18%19%20([N](c%21ccc(S1)cc%21)=C(NC1CCCCC1)NC1CCCCC1)([cH]1[cH]%16[cH]%15[cH]%14[cH]%131)[cH]1[cH]%17[cH]%18[cH]%19[cH]%201)cc%12)=C(NC1CCCCC1)NC1CCCCC1)cc%11)=C(NC1CCCCC1)NC1CCCCC1)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]7[cH]8[cH]9[cH]%101)cc2)=C(NC1CCCCC1)NC1CCCCC1 |
Title of publication | Facile construction of novel organolanthanide square-planar macrocycles through addition of carbodiimide to an amino group. |
Authors of publication | Ma, Liping; Zhang, Jie; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 25 |
Pages of publication | 2718 - 2722 |
a | 29.4 ± 0.008 Å |
b | 16.934 ± 0.004 Å |
c | 30.963 ± 0.012 Å |
α | 90° |
β | 112.029 ± 0.003° |
γ | 90° |
Cell volume | 14290 ± 8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.1388 |
Residual factor for significantly intense reflections | 0.0856 |
Weighted residual factors for significantly intense reflections | 0.2587 |
Weighted residual factors for all reflections included in the refinement | 0.3094 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7005338.html
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