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Information card for entry 7032642
Preview
Coordinates | 7032642.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C76 H92 Cl4 N4 Ni4 O22 |
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Calculated formula | C76 H92 Cl4 N4 Ni4 O22 |
SMILES | c12[O]3[Ni]45([N](=Cc2cccc1)c1ccc(cc1C(=O)O4)Cl)([O]1c2ccccc2C=[N]2[Ni]431([OH]CC)[O]1C(c3c2ccc(c3)Cl)=[O][Ni]236([O](c7ccccc7C=[N]2c2ccc(cc2C(=O)O3)Cl)[Ni]231([O]6c1ccccc1C=[N]2c1ccc(cc1C([O]43)=[O]5)Cl)[OH]CC)[OH]CC)[OH]CC.C(C)O.C(C)O.OCC.C(C)O.C(C)O.C(C)O |
Title of publication | Structural and magnetic variations in tetranuclear Ni(II) clusters: the effect of the reaction solvent and ligand substitution on product identity. |
Authors of publication | Perlepe, Panagiota S.; Athanasopoulou, Angeliki A.; Alexopoulou, Konstantina I.; Raptopoulou, Catherine P.; Psycharis, Vassilis; Escuer, Albert; Perlepes, Spyros P.; Stamatatos, Theocharis C. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 44 |
Pages of publication | 16605 - 16609 |
a | 11.0498 ± 0.0006 Å |
b | 11.4157 ± 0.0006 Å |
c | 17.5861 ± 0.001 Å |
α | 99.067 ± 0.002° |
β | 94.192 ± 0.003° |
γ | 113.463 ± 0.002° |
Cell volume | 1986.76 ± 0.19 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0369 |
Residual factor for significantly intense reflections | 0.0326 |
Weighted residual factors for significantly intense reflections | 0.0732 |
Weighted residual factors for all reflections included in the refinement | 0.0752 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
Diffraction radiation wavelength | 0.71073 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/7032642.html
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