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Information card for entry 2212319
Preview
Coordinates | 2212319.cif |
---|---|
Structure factors | 2212319.hkl |
Original IUCr paper | HTML |
Chemical name | poly[tetrakis(μ-2,4'-bipyridine-κ^2^N:N')(μ~4~-β-octamolybdato- κ^4^-O:O':O'':O''')tetracopper(I)] |
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Formula | C40 H32 Cu4 Mo8 N8 O26 |
Calculated formula | C40 H32 Cu4 Mo8 N8 O26 |
SMILES | [Cu][n]1c(cccc1)c1cc[n](cc1)[Cu][n]1ccc(cc1)c1[n](cccc1)[Cu][n]1c(cccc1)c1cc[n](cc1)[Cu][n]1ccc(c2ncccc2)cc1.O=[Mo]123([O]456[Mo]789(=O)[O]1[Mo]1%10(=O)([O]3[Mo]3%115(=O)[O]581[Mo](O[Mo]15([O]3[Mo]6(O[Mo]4(O2)(=O)(O7)=O)(=O)([O]91)=O)(=O)=O)(=O)(O%10)(O%11)=O)=O)=O |
Title of publication | The 3,4-connected layered hybrid oxide poly[tetrakis(μ-2,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>')(μ~4~-β-octamolybdato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>''')tetracopper(I)] |
Authors of publication | Ochalek, Catherine E.; LaDuca, Robert L. |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2007 |
Journal volume | 63 |
Journal issue | 2 |
Pages of publication | m621 - m624 |
a | 10.631 ± 0.002 Å |
b | 10.948 ± 0.002 Å |
c | 12.701 ± 0.003 Å |
α | 99.427 ± 0.003° |
β | 114.082 ± 0.003° |
γ | 100.871 ± 0.003° |
Cell volume | 1276.7 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0271 |
Residual factor for significantly intense reflections | 0.0231 |
Weighted residual factors for significantly intense reflections | 0.0579 |
Weighted residual factors for all reflections included in the refinement | 0.0594 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2212319.html
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