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Information card for entry 7032641
Preview
Coordinates | 7032641.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H72 N8 Ni4 O12 |
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Calculated formula | C68 H72 N8 Ni4 O12 |
SMILES | c12ccc(C)cc1[N]1=Cc3ccccc3[O]3[Ni]456[N](c7c([O]85[Ni]513([O]2[Ni]123[N](=Cc9ccccc9O1)c1c([O]53[Ni]358([N](c8c(ccc(C)c8)[O]43)=Cc3ccccc3[O]25)[O]=CN(C)C)ccc(C)c1)[O]=CN(C)C)ccc(C)c7)=Cc1ccccc1O6.N(C=O)(C)C.N(C=O)(C)C |
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 | 11.3987 ± 0.0002 Å |
b | 11.9871 ± 0.0002 Å |
c | 12.9916 ± 0.0002 Å |
α | 63.724 ± 0.001° |
β | 82.282 ± 0.001° |
γ | 81.803 ± 0.001° |
Cell volume | 1570.38 ± 0.05 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0542 |
Residual factor for significantly intense reflections | 0.0412 |
Weighted residual factors for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/7032641.html
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Users of the data should acknowledge the original authors of the
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