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Information card for entry 2229456
Preview
| Coordinates | 2229456.cif |
|---|---|
| Structure factors | 2229456.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aqua[4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]nitratocopper(II) nitrate [4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]dinitratocopper(II) monohydrate |
|---|---|
| Formula | C42 H32 Cl2 Cu2 N10 O14 |
| Calculated formula | C42 H32 Cl2 Cu2 N10 O14 |
| Title of publication | Aqua[4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]nitratocopper(II) nitrate [4'-(4-chlorophenyl)-2,2':6',2''-terpyridine]dinitratocopper(II) monohydrate |
| Authors of publication | Zhao, Juan; Shi, Shuo; Yao, Tianming; Tan, Zhongfei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m346 |
| a | 14.7172 ± 0.0002 Å |
| b | 15.068 ± 0.0002 Å |
| c | 20.4214 ± 0.0003 Å |
| α | 90° |
| β | 105.377 ± 0.001° |
| γ | 90° |
| Cell volume | 4366.51 ± 0.11 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0523 |
| Residual factor for significantly intense reflections | 0.0442 |
| Weighted residual factors for significantly intense reflections | 0.1108 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181215 (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 2/22/94. |
2229456.cif 2229456.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. |
2229456.cif 2229456.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229456.cif 2229456.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. | 2229456.cif 2229456.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229456.cif 2229456.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2229456.cif 2229456.hkl |
| 17513 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2229456 via cif-deposit CGI script. |
2229456.cif |
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