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Information card for entry 7042288
Preview
Coordinates | 7042288.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C41 H46 Br4 Dy N11 O13 Zn2 |
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Calculated formula | C40 H40 Br4 Dy N10 O8 Zn2 |
SMILES | [Zn]123([O]4[Dy]56789([O]=Cc%10c([O]35)c(cc(Br)c%10)C[N]1(C)CC[N]2(C)Cc1c4c(cc(Br)c1)C=[O]7)[O]=Cc1c2c(cc(Br)c1)C[N]1(C)[Zn]3([N](CC1)(C)Cc1c(c(cc(Br)c1)C=[O]6)[O]93)([O]82)N=N#N)N=N#N |
Title of publication | The effect of the disposition of coordinated oxygen atoms on the magnitude of the energy barrier for magnetization reversal in a family of linear trinuclear Zn-Dy-Zn complexes with a square-antiprism DyO8 coordination sphere. |
Authors of publication | Oyarzabal, Itziar; Rodríguez-Diéguez, Antonio; Barquín, Montserrat; Seco, José M; Colacio, Enrique |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 13 |
Pages of publication | 4278 - 4286 |
a | 13.6069 ± 0.0007 Å |
b | 13.8358 ± 0.0009 Å |
c | 15.9283 ± 0.0007 Å |
α | 99.998 ± 0.005° |
β | 108.143 ± 0.005° |
γ | 106.028 ± 0.005° |
Cell volume | 2625.9 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0959 |
Residual factor for significantly intense reflections | 0.0587 |
Weighted residual factors for significantly intense reflections | 0.1114 |
Weighted residual factors for all reflections included in the refinement | 0.1254 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.951 |
Diffraction radiation wavelength | 0.71069 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/7042288.html
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Users of the data should acknowledge the original authors of the
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