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Information card for entry 2229587
Preview
| Coordinates | 2229587.cif |
|---|---|
| Structure factors | 2229587.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[[silver(I)-μ-1,4-bis[(imidazol-1-yl)methyl]benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^-silver(I)-μ-1,4-bis[(imidazol-1- yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] 4,4'-diazenediyldibenzoate] dihydrate] |
|---|---|
| Formula | C42 H40 Ag2 N10 O6 |
| Calculated formula | C42 H40 Ag2 N10 O6 |
| SMILES | [Ag]([n]1cn(Cc2ccc(Cn3cc[n]([Ag])c3)cc2)cc1)[n]1ccn(c1)Cc1ccc(cc1)Cn1cncc1.C(=O)(c1ccc(cc1)/N=N/c1ccc(cc1)C(=O)[O-])[O-].O.O |
| Title of publication | Poly[[[silver(I)-μ-1,4-bis[(imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^-silver(I)-μ-1,4-bis[(imidazol-1-yl)methyl]benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^] 4,4'-diazenediyldibenzoate] dihydrate] |
| Authors of publication | Qiao, Qian; Tian, Mei; Liu, Da-Yong; Wang, Shu-Jiang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m473 |
| a | 9.4944 ± 0.0006 Å |
| b | 9.781 ± 0.0007 Å |
| c | 24.4049 ± 0.0009 Å |
| α | 84.111 ± 0.004° |
| β | 88.765 ± 0.004° |
| γ | 63.245 ± 0.007° |
| Cell volume | 2012.3 ± 0.2 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 | 0.0709 |
| Residual factor for significantly intense reflections | 0.0398 |
| Weighted residual factors for significantly intense reflections | 0.0943 |
| Weighted residual factors for all reflections included in the refinement | 0.1016 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181216 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/95. |
2229587.cif 2229587.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2229587.cif 2229587.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229587.cif 2229587.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. | 2229587.cif 2229587.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229587.cif 2229587.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229587.cif 2229587.hkl |
| 19043 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229587 via cif-deposit CGI script. |
2229587.cif |
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