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Information card for entry 4080934
Preview
Coordinates | 4080934.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C102 H126 Cl4 N16 O2 Yb2 |
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Calculated formula | C102 H126 Cl4 N16 O2 Yb2 |
SMILES | C1(=[N]2c3cccc4cccc(N5C(=[N](C(C)C)[Yb]625(NC(=C(C#[N][Yb]257([N](C(C)C)=C(N2c2cccc8cccc([N]7=C(N5C(C)C)NC(C)C)c28)NC(C)C)(NC(=C(C#[N]6)c2ccc(cc2)Cl)Cc2ccc(cc2)Cl)[O]2CCCC2)c2ccc(cc2)Cl)Cc2ccc(cc2)Cl)(N1C(C)C)[O]1CCCC1)NC(C)C)c34)NC(C)C.c1(ccccc1)C.c1(ccccc1)C |
Title of publication | Synthesis of a Naphthalene-Bridged Bis(guanidinato)ytterbium(II) Complex and an Unexpected Pathway in Its Reaction with CH3CN,p-ClC6H4CH2CN, and Ph2CHCN |
Authors of publication | Wang, Chuanyong; Zhang, Xingmin; Xue, Mingqiang; Zhang, Yong; Shen, Qi |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 13 |
Pages of publication | 3618 |
a | 14.372 ± 0.004 Å |
b | 21.107 ± 0.005 Å |
c | 16.541 ± 0.004 Å |
α | 90° |
β | 90.723 ± 0.006° |
γ | 90° |
Cell volume | 5017 ± 2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0949 |
Residual factor for significantly intense reflections | 0.0707 |
Weighted residual factors for significantly intense reflections | 0.2158 |
Weighted residual factors for all reflections included in the refinement | 0.2455 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.212 |
Diffraction radiation wavelength | 0.71075 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/4080934.html
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