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Information card for entry 7031079
Preview
Coordinates | 7031079.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H88 Cl2 Gd6 N16 O32 |
---|---|
Calculated formula | C64 H80 Cl2 Gd6 N16 O30 |
SMILES | c12[n]3c(ccc2)C2=N[N]4=Cc5c(O[Gd]6784([O]2[Gd]249%103([O]3C1=N[N]1=Cc%11c([O]%12[Gd]%13%14%15%16([N](N=C%17[O]%15[Gd]%15%18%19%20([OH]2[Gd]2%21([O]=CO%20)(OC=[O]6)([O]=CN(C)C)([N](=Cc6c(cccc6)[O]72)N=C(c2[n]%15c%17ccc2)[O]%18%21)[OH]89)([OH]4[Gd]31%12([O]=CO%10)([OH]%14%19)([O]=CO%16)[O]=CN(C)C)[OH2])=Cc1c(O%13)cccc1)([O]=CN(C)C)[O]=CN(C)C)cccc%11)[OH2])([O]=CN(C)C)[O]=CN(C)C)cccc5.[Cl-].O.[Cl-].O |
Title of publication | Synthesis, crystal structure and study of magnetocaloric effect and single molecular magnetic behaviour in discrete lanthanide complexes. |
Authors of publication | Adhikary, Amit; Sheikh, Javeed Ahmad; Biswas, Soumava; Konar, Sanjit |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 24 |
Pages of publication | 9334 - 9343 |
a | 13.942 ± 0.004 Å |
b | 16.159 ± 0.004 Å |
c | 20.385 ± 0.006 Å |
α | 90° |
β | 103.577 ± 0.014° |
γ | 90° |
Cell volume | 4464 ± 2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0653 |
Residual factor for significantly intense reflections | 0.0528 |
Weighted residual factors for significantly intense reflections | 0.1518 |
Weighted residual factors for all reflections included in the refinement | 0.1616 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7031079.html
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