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Information card for entry 4500175
Preview
| Coordinates | 4500175.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | CoW12P-DMF |
|---|---|
| Formula | C24 H66 Co N12 O46 P W12 |
| Calculated formula | C24 H66 Co N12 O46 P W12 |
| SMILES | C1C[NH2][Co]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.C(=O)N(C)C.CN(C)C=O.CN(C=O)C.CN(C=O)C.CN(C)C=O.C(=O)N(C)C.O=[W]1234O[W]567(=O)O[W]89(O1)(=O)[O]46=P14[O]6%10[W]%11%12%13(O[W]%14%10(=O)(O2)O[W]6(O5)(=O)(O%13)O[W]25(O[W]6%10(O[W]%13%15(O[W]%16(O3)(=O)(O%14)O[W](O8)(=O)(O%13)(O[W](O6)(O2)(O9)([O]45%10)=O)[O]1%15%16)(=O)O%12)(=O)O%11)(=O)O7)=O |
| Title of publication | Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals |
| Authors of publication | Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2011 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 139 |
| a | 15.55 ± 0.003 Å |
| b | 19.059 ± 0.003 Å |
| c | 23.026 ± 0.004 Å |
| α | 90° |
| β | 97.121 ± 0.003° |
| γ | 90° |
| Cell volume | 6772 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1127 |
| Residual factor for significantly intense reflections | 0.0984 |
| Weighted residual factors for significantly intense reflections | 0.2309 |
| Weighted residual factors for all reflections included in the refinement | 0.2423 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179532 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/01. |
4500175.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4500175.cif |
| 34383 | 2012-02-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4500171, 4500172, 4500173, 4500174, 4500175, 4500176, 4500177 via cif-deposit CGI script. |
4500175.cif |
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