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Information card for entry 2221371
Preview
Coordinates | 2221371.cif |
---|---|
Structure factors | 2221371.hkl |
Original IUCr paper | HTML |
Chemical name | {μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato- 1κ^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^: 2κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol- 1κ<i>O</i>)(perchlorato-1κ<i>O</i>)nickel(II)sodium |
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Formula | C19 H22 Cl N2 Na Ni O9 |
Calculated formula | C19 H22 Cl N2 Na Ni O9 |
SMILES | [N]12=Cc3c(c(ccc3)[O]([Na]345(OCl(=O)(=O)=O)[OH]C)C)[O]3[Ni]32[N](=Cc2cccc(c2[O]34)[O]5C)CC1 |
Title of publication | {μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato-1κ^4^<i>O</i>^6^,<i>O</i>^1^,<i>O</i>^1'^,<i>O</i>^6'^:2κ^4^<i>O</i>^1^,<i>N</i>,<i>N</i>',<i>O</i>^1'^}(methanol-1κ<i>O</i>)(perchlorato-1κ<i>O</i>)nickel(II)sodium |
Authors of publication | Xiao, Hui-Quan |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2009 |
Journal volume | 65 |
Journal issue | 4 |
Pages of publication | m400 |
a | 12.026 ± 0.002 Å |
b | 8.136 ± 0.0016 Å |
c | 23.394 ± 0.005 Å |
α | 90° |
β | 104.302 ± 0.003° |
γ | 90° |
Cell volume | 2218 ± 0.7 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0657 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.147 |
Weighted residual factors for all reflections included in the refinement | 0.1591 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
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