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Information card for entry 7036628
Preview
Coordinates | 7036628.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H39 Ce N8 O11 S2 Zn2 |
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Calculated formula | C40 H39 Ce N8 O11 S2 Zn2 |
SMILES | [Ce]1234567([O]8[Zn]9%10([O]6c6c([O]5C)cccc6C=[N]%10CC[N]9=Cc5cccc([O]7C)c58)N=C=S)([O]=N(=O)O1)[O](C)c1cccc5c1[O]2[Zn]12([O]3c3c(C=[N]2CC[N]1=C5)cccc3[O]4C)N=C=S.N#CC |
Title of publication | Slow magnetic relaxation of light lanthanide-based linear LnZn2 trinuclear complexes. |
Authors of publication | Takehara, Chika; Then, Poh Ling; Kataoka, Yumiko; Nakano, Motohiro; Yamamura, Tomoo; Kajiwara, Takashi |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2015 |
Journal volume | 44 |
Journal issue | 41 |
Pages of publication | 18276 - 18283 |
a | 12.0836 ± 0.0019 Å |
b | 12.587 ± 0.002 Å |
c | 16.363 ± 0.003 Å |
α | 87.699 ± 0.008° |
β | 69.461 ± 0.005° |
γ | 70.611 ± 0.006° |
Cell volume | 2190.2 ± 0.6 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0622 |
Residual factor for significantly intense reflections | 0.0557 |
Weighted residual factors for significantly intense reflections | 0.1394 |
Weighted residual factors for all reflections included in the refinement | 0.1469 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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