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Information card for entry 2205536
Preview
Coordinates | 2205536.cif |
---|---|
Structure factors | 2205536.hkl |
Original IUCr paper | HTML |
Chemical name | catena-Poly[diaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O,O':O''-tetraaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)- κ^3^O:O',O''] |
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Formula | C5 H16 Cl2 O9 P2 Zn |
Calculated formula | C5 H16 Cl2 O9 P2 Zn |
SMILES | [Zn]12([OH2])(OP(=O)(OCC)C(Cl)(Cl)P(=[O]1)(O[Zn]([OH2])([OH2])([OH2])([OH2])OP1(=[O][Zn]3([OH2])([OH2])(OP(=O)(OCC)C1(Cl)Cl)OP(=O)(OCC)C(Cl)(Cl)P(=[O]3)(O[Zn]([OH2])([OH2])([OH2])[OH2])OCC)OCC)OCC)([OH2])OP(=O)(OCC)C(Cl)(Cl)P(O2)(=O)OCC |
Title of publication | <i>catena</i>-Poly[diaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O,O</i>':<i>O</i>''-tetraaquazinc(II)-μ-(diethyl dichloromethylenebisphosphonato)-κ^3^<i>O</i>:<i>O</i>',<i>O</i>''] |
Authors of publication | Kontturi, Mervi; Peräniemi, Sirpa; Vepsäläinen, Jouko J.; Ahlgrén, Markku |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2005 |
Journal volume | 61 |
Journal issue | 4 |
Pages of publication | m635 - m637 |
a | 7.3809 ± 0.0001 Å |
b | 8.3383 ± 0.0001 Å |
c | 11.8498 ± 0.0002 Å |
α | 94.659 ± 0.001° |
β | 97.724 ± 0.001° |
γ | 93.244 ± 0.001° |
Cell volume | 718.597 ± 0.018 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 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 | 0.0242 |
Residual factor for significantly intense reflections | 0.0202 |
Weighted residual factors for significantly intense reflections | 0.0518 |
Weighted residual factors for all reflections included in the refinement | 0.0531 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
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/2205536.html
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