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Information card for entry 2239435
Preview
| Coordinates | 2239435.cif |
|---|---|
| Structure factors | 2239435.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(ethanol-κ<i>O</i>)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^] |
|---|---|
| Formula | C10 H12 Cl2 Mn O6 |
| Calculated formula | C10 H12 Cl2 Mn O6 |
| SMILES | [Mn]1([OH]CC)([OH]CC)[O]=C2C(O1)=C(Cl)C1=[O][Mn]3(OC1=C2Cl)([OH]CC)([OH]CC)[O]=C1C(O3)=C(Cl)C(=O)C([O-])=C1Cl |
| Title of publication | <i>catena</i>-Poly[[bis(ethanol-κ<i>O</i>)manganese(II)]-μ-2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-bis(olato)-κ^4^<i>O</i>^1^,<i>O</i>^6^:<i>O</i>^3^,<i>O</i>^4^] |
| Authors of publication | Tanaka, Seiya; Himegi, Akiko; Ohishi, Tomomi; Fuyuhiro, Akira; Kawata, Satoshi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 3 |
| Pages of publication | m90 - m91 |
| a | 5.0784 ± 0.0005 Å |
| b | 8.1255 ± 0.0008 Å |
| c | 8.9003 ± 0.0009 Å |
| α | 102.718 ± 0.004° |
| β | 105.175 ± 0.005° |
| γ | 101.092 ± 0.003° |
| Cell volume | 333.35 ± 0.06 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0323 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181894 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/94. |
2239435.cif 2239435.hkl |
| 181313 | 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 2/23/94. |
2239435.cif 2239435.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. |
2239435.cif 2239435.hkl |
| 110718 | 2014-04-19 | cif/ hkl/ Adding structures of 2239435 via cif-deposit CGI script. |
2239435.cif 2239435.hkl |
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