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Information card for entry 2207141
Preview
Coordinates | 2207141.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | catena-poly[[diaquacobalt(II)]-μ- {μ-mellitato-κ^2^O^1^:O^4^-bis[pentaaquacobalt(II)]}- κ^4^O^2^,O^3^:O^5^,O^6^] hexahydrate] |
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Formula | C12 H36 Co3 O30 |
Calculated formula | C12 H36 Co3 O30 |
SMILES | [Co]12([OH2])([OH2])(OC(=O)c3c(C(=O)O1)c(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])c1C(=O)O[Co]([OH2])([OH2])OC(=O)c1c3C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])OC(=O)c1c(C(=O)O2)c(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])c(C(=O)[O-])c(C(=O)[O-])c1C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | A triclinic polymorph of <i>catena</i>-poly[[diaquacobalt(II)]-μ-{μ-mellitato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[pentaaquacobalt(II)]}-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^5^,<i>O</i>^6^] hexahydrate] |
Authors of publication | Ji-Chun Cui |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 11 |
Pages of publication | m2209 - m2211 |
a | 8.491 ± 0.0017 Å |
b | 9.655 ± 0.0019 Å |
c | 10.812 ± 0.002 Å |
α | 70.66 ± 0.03° |
β | 67.36 ± 0.03° |
γ | 72.18 ± 0.03° |
Cell volume | 755.5 ± 0.3 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0316 |
Residual factor for significantly intense reflections | 0.0266 |
Weighted residual factors for significantly intense reflections | 0.0753 |
Weighted residual factors for all reflections included in the refinement | 0.0802 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/2207141.html
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