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Information card for entry 2236887
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| Coordinates | 2236887.cif |
|---|---|
| Structure factors | 2236887.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ- furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate] |
|---|---|
| Formula | C16 H16 N2 O8 Zn |
| Calculated formula | C16 H16 N2 O8 Zn |
| SMILES | [Zn]1(OC(=O)c2oc(cc2)C(=O)[O-])([n]2ccccc2c2[n]1cccc2)([OH2])OC(=O)c1oc(C(=O)O[Zn]2([n]3ccccc3c3[n]2cccc3)[OH2])cc1.O.O.O.O |
| Title of publication | <i>catena</i>-Poly[[[aqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')zinc]-μ-furan-2,5-dicarboxylato-κ^2^<i>O</i>^2^:<i>O</i>^5^] dihydrate] |
| Authors of publication | Li, Ya-Feng; Xu, Yue; Qin, Xiao-Lin; Yuan, Yong-Peng; Gao, Wen-Yuan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1466 |
| a | 8.5815 ± 0.0017 Å |
| b | 9.2928 ± 0.0019 Å |
| c | 12.753 ± 0.003 Å |
| α | 69.99 ± 0.03° |
| β | 87.63 ± 0.03° |
| γ | 65.85 ± 0.03° |
| Cell volume | 866.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181290 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/68. |
2236887.cif 2236887.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2236887.cif 2236887.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236887.cif 2236887.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2236887.cif 2236887.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2236887.cif 2236887.hkl |
| 71150 | 2013-01-18 | cif/ Adding structures of 2236887 via cif-deposit CGI script. |
2236887.cif |
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