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Information card for entry 2233777
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| Coordinates | 2233777.cif |
|---|---|
| Structure factors | 2233777.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10- phenanthroline)nickel(II) |
|---|---|
| Formula | C32 H26 N10 Ni O4 S2 |
| Calculated formula | C32 H26 N10 Ni O4 S2 |
| SMILES | [Ni]123(N(S(=O)(=O)c4ccc(N)cc4)c4[n]1cccn4)(N(S(=O)(=O)c1ccc(N)cc1)c1[n]2cccn1)[n]1cccc2ccc4ccc[n]3c4c12 |
| Title of publication | Bis[4-amino-<i>N</i>-(pyrimidin-2-yl)benzenesulfonamidato](1,10-phenanthroline)nickel(II) |
| Authors of publication | Hu, Xiu-Feng; Bing, Yue; Li, Xing; Kong, Zu-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | m348 - m349 |
| a | 11.015 ± 0.002 Å |
| b | 17.995 ± 0.003 Å |
| c | 16.128 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3196.8 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.0722 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.0965 |
| Weighted residual factors for all reflections included in the refinement | 0.1101 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181259 (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 2/23/37. |
2233777.cif 2233777.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. |
2233777.cif 2233777.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233777.cif 2233777.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. | 2233777.cif 2233777.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2233777.cif 2233777.hkl |
| 51026 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2233777 via cif-deposit CGI script. |
2233777.cif |
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Users of the data should acknowledge the original authors of the
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