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Information card for entry 4350767
Preview
Coordinates | 4350767.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C200 H104 Cl8 Dy2 N16 O8 |
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Calculated formula | C200 H104 Cl8 Dy2 N16 O8 |
SMILES | [Dy]123456([n]78[Dy]9%10%11%12%13(n%14c%15ccc%14C(=c%14[n]9c(cc%14)C(=c9n%10c(=C(c%10ccc(=C%15c%14ccc(cc%14)Cl)[n]%13%10)c%10ccc(cc%10)Cl)cc9)c9ccc(cc9)Cl)c9ccc(cc9)Cl)[n]91c1c%10c(c9=Nc7c7c(c8N=c8c9c(c([n]5%128)N=c5c8c(cc%12Oc%13c(c%14c(cccc%14)cc%13)c%13c(Oc%12c8)ccc8c%13cccc8)c(=N1)[n]2%115)cc1Oc2c(c5c8ccccc8ccc5Oc1c9)c1ccccc1cc2)cc1Oc2c(c5c(cc2)cccc5)c2c(Oc1c7)ccc1c2cccc1)cc1Oc2c(c5c(ccc7c5cccc7)Oc1c%10)c1c(cc2)cccc1)[n]1c2=C(c5ccc(Cl)cc5)c5n3c(C(=c3[n]4c(C(=c4ccc(=C(c1cc2)c1ccc(Cl)cc1)n64)c1ccc(cc1)Cl)cc3)c1ccc(Cl)cc1)cc5 |
Title of publication | Magneto-chiral dichroism in chiral mixed (phthalocyaninato)(porphyrinato) rare earth triple-decker SMMs |
Authors of publication | Wang, Kang; Zeng, Suyuan; Wang, Hailong; Dou, Jianmin; Jiang, Jianzhuang |
Journal of publication | Inorganic Chemistry Frontiers |
Year of publication | 2014 |
Journal volume | 1 |
Journal issue | 2 |
Pages of publication | 167 |
a | 44.5558 ± 0.0012 Å |
b | 22.3269 ± 0.0015 Å |
c | 22.6969 ± 0.0006 Å |
α | 90° |
β | 94.091 ± 0.002° |
γ | 90° |
Cell volume | 22521.2 ± 1.7 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.2652 |
Residual factor for significantly intense reflections | 0.1572 |
Weighted residual factors for significantly intense reflections | 0.3444 |
Weighted residual factors for all reflections included in the refinement | 0.4655 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.451 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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