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Information card for entry 8102755
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| Coordinates | 8102755.cif |
|---|
| Chemical name | aqua(1,10-phenanthroline-k2N, N')-(4- acetylaminobenzoato-kO)-chloride copper(II) dihydrate, Cu(H2O)(C12H8N2)( C9H8O3N)Cl?2H2O |
|---|---|
| Formula | C21 H21 Cl Cu N3 O5.5 |
| Calculated formula | C21 H21 Cl Cu N3 O5.5 |
| Title of publication | Crystal structure of aquachloro(1,10-phenanthroline-k2N,N')-(4-acetylaminobenzoato-kO)copper(II) sesquihydrate, Cu(H2O)(C12H8N2)(C9H8O3N)Cl · 1.5H2O, at 113 K |
| Authors of publication | Yun-Fei Kuang; Chang-Hong Li; Wei Li; Ying-Qun Yang |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 3 |
| Pages of publication | 431 |
| a | 8.605 ± 0.004 Å |
| b | 8.865 ± 0.004 Å |
| c | 15.136 ± 0.006 Å |
| α | 99.107 ± 0.003° |
| β | 102.494 ± 0.006° |
| γ | 106.571 ± 0.007° |
| Cell volume | 1050.2 ± 0.8 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0338 |
| Residual factor for significantly intense reflections | 0.0283 |
| Weighted residual factors for significantly intense reflections | 0.0712 |
| Weighted residual factors for all reflections included in the refinement | 0.0724 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102755.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102755.cif |
| 13494 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102755 via cif-deposit CGI script. |
8102755.cif |
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