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Information card for entry 2236915
Preview
| Coordinates | 2236915.cif |
|---|---|
| Structure factors | 2236915.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[[diaquacopper(II)]-bis[μ-1,5-bis(1<i>H</i>-imidazol-1- yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] naphthalene-1,5-disulfonate] |
|---|---|
| Formula | C32 H38 Cu N8 O8 S2 |
| Calculated formula | C32 H38 Cu N8 O8 S2 |
| Title of publication | <i>catena</i>-Poly[[[diaquacopper(II)]-bis[μ-1,5-bis(1<i>H</i>-imidazol-1-yl)pentane-κ^2^<i>N</i>^3^:<i>N</i>^3'^]] naphthalene-1,5-disulfonate] |
| Authors of publication | Zhang, Lai-Ping; Wen, Shu-Tang; Fu, Xiao-Ning |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 12 |
| Pages of publication | m1505 |
| a | 9.3 ± 0.005 Å |
| b | 9.88 ± 0.005 Å |
| c | 11.02 ± 0.005 Å |
| α | 95.49 ± 0.005° |
| β | 102.93 ± 0.005° |
| γ | 114 ± 0.005° |
| Cell volume | 881.5 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1426 |
| Residual factor for significantly intense reflections | 0.0739 |
| Weighted residual factors for significantly intense reflections | 0.1374 |
| Weighted residual factors for all reflections included in the refinement | 0.1672 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181291 (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 2/23/69. |
2236915.cif 2236915.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. |
2236915.cif 2236915.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2236915.cif 2236915.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. | 2236915.cif 2236915.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. |
2236915.cif 2236915.hkl |
| 71178 | 2013-01-18 | cif/ Adding structures of 2236915 via cif-deposit CGI script. |
2236915.cif |
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Users of the data should acknowledge the original authors of the
structural data.