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Information card for entry 1516945
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Coordinates | 1516945.cif |
---|
Formula | C48 H80 N4 Ni4 O22 |
---|---|
Calculated formula | C48 H76 N4 Ni4 O22 |
SMILES | [Ni]1234([N](=Cc5c(c(ccc5)OC)O1)CCC[O]12[Ni]256([N](=Cc7c(c(ccc7)OC)O2)CCC[O]25[Ni]571([N](=Cc1c(c(ccc1)OC)O5)CCC[O]37[Ni]132([N](=Cc2c(c(ccc2)OC)O1)CCC[O]463)OC)OC)OC)OC.O.O.O.O.O.O |
Title of publication | Synthesis, structure and magnetism of three cubane Cu(II) and Ni(II) complexes based on flexible Schiff-base ligands |
Authors of publication | Zhengliang Lu; Tao Fan; Weiwei Guo; Jing Lu; Chunhua Fan |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2013 |
Journal volume | 400 |
Pages of publication | 191 - 196 |
a | 14.9988 ± 0.0014 Å |
b | 15.1184 ± 0.0016 Å |
c | 17.0828 ± 0.0016 Å |
α | 68.287 ± 0.01° |
β | 66.409 ± 0.009° |
γ | 70.254 ± 0.01° |
Cell volume | 3215.1 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.1562 |
Residual factor for significantly intense reflections | 0.084 |
Weighted residual factors for significantly intense reflections | 0.2108 |
Weighted residual factors for all reflections included in the refinement | 0.2725 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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