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Information card for entry 2232048
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| Coordinates | 2232048.cif |
|---|---|
| Structure factors | 2232048.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquachloridobis(2-ethoxy-6-formylphenolato- κ^2^<i>O</i>^1^,<i>O</i>^6^)chromium(III) acetonitrile hemisolvate |
|---|---|
| Formula | C19 H21.5 Cl Cr N0.5 O7 |
| Calculated formula | C19 H21.5 Cl Cr N0.5 O7 |
| Title of publication | Aquachloridobis(2-ethoxy-6-formylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^6^)chromium(III) acetonitrile hemisolvate |
| Authors of publication | Ghelenji, Safoora; Kargar, Hadi; Sharafi, Zahra; Kia, Reza |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 10 |
| Pages of publication | m1393 |
| a | 19.292 ± 0.003 Å |
| b | 10.1211 ± 0.001 Å |
| c | 20.953 ± 0.003 Å |
| α | 90° |
| β | 91.824 ± 0.011° |
| γ | 90° |
| Cell volume | 4089.1 ± 1 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1399 |
| Residual factor for significantly intense reflections | 0.0508 |
| Weighted residual factors for significantly intense reflections | 0.0639 |
| Weighted residual factors for all reflections included in the refinement | 0.0784 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.801 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181242 (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 2/23/20. |
2232048.cif 2232048.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2232048.cif 2232048.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232048.cif 2232048.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. | 2232048.cif 2232048.hkl |
| 29951 | 2011-11-08 | hkl/ Adding the most recent Fobs data from the IUCr journals. |
2232048.cif 2232048.hkl |
| 29337 | 2011-11-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232048 via cif-deposit CGI script. |
2232048.cif |
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Users of the data should acknowledge the original authors of the
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