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Information card for entry 2232215
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| Coordinates | 2232215.cif |
|---|---|
| Structure factors | 2232215.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol- κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate |
|---|---|
| Formula | C15 H30 Cr3 N3 O16 |
| Calculated formula | C15 H30 Cr3 N3 O16 |
| SMILES | C1(C)=[O][Cr]234([O]5[Cr]6(N=N#N)(O1)([O]=C(C)O[Cr]5([O]=C(C)O2)(OC(C)=[O]6)([O]=C(C)O4)[OH]C)OC(C)=[O]3)[OH]C.CO |
| Title of publication | Hexa-μ~2~-acetato-κ^12^<i>O</i>:<i>O</i>'-(azido-κ<i>N</i>)bis(methanol-κ<i>O</i>)-μ~3~-oxido-trichromium(III) methanol monosolvate |
| Authors of publication | Jiang, Guo-Qing; Li, Jian-Hua; Wang, Miao; Shi, Yu-Jun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1483 |
| a | 21.165 ± 0.005 Å |
| b | 10.609 ± 0.003 Å |
| c | 15.641 ± 0.004 Å |
| α | 90° |
| β | 130.484 ± 0.004° |
| γ | 90° |
| Cell volume | 2671.2 ± 1.2 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0704 |
| Residual factor for significantly intense reflections | 0.0586 |
| Weighted residual factors for significantly intense reflections | 0.127 |
| Weighted residual factors for all reflections included in the refinement | 0.1299 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181244 (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 2/23/22. |
2232215.cif 2232215.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. |
2232215.cif 2232215.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232215.cif 2232215.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. | 2232215.cif 2232215.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232215.cif 2232215.hkl |
| 30860 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232215 via cif-deposit CGI script. |
2232215.cif |
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Users of the data should acknowledge the original authors of the
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