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Information card for entry 7015430
Preview
Coordinates | 7015430.cif |
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Original paper (by DOI) | HTML |
Formula | C38 H46 N4 Ni2 O7 |
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Calculated formula | C38 H46 N4 Ni2 O7 |
SMILES | [Ni]1234([OH2][Ni]56(OC(=O)c7ccccc7)([O]2c2ccccc2C=[N]4CCC[N]1(C)C)[O]3c1ccccc1C=[N]5CCC[N]6(C)C)OC(=O)c1ccccc1 |
Title of publication | The importance of an additional water bridge in making the exchange coupling of bis(μ-phenoxo) dinickel(ii)complexes ferromagnetic. |
Authors of publication | Biswas, Rituparna; Kar, Paramita; Song, You; Ghosh, Ashutosh |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 19 |
Pages of publication | 5324 - 5331 |
a | 8.4851 ± 0.0011 Å |
b | 21.865 ± 0.003 Å |
c | 20.453 ± 0.003 Å |
α | 90° |
β | 98.113 ± 0.002° |
γ | 90° |
Cell volume | 3756.6 ± 0.9 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0551 |
Residual factor for significantly intense reflections | 0.0352 |
Weighted residual factors for significantly intense reflections | 0.0818 |
Weighted residual factors for all reflections included in the refinement | 0.092 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
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/7015430.html
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