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Information card for entry 4327838
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| Coordinates | 4327838.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (CH3NH3)2{[Mn(phen)]2(AsS4)2} |
|---|---|
| Chemical name | (CH3NH3)2{[Mn(phen)]2(AsS4)2} |
| Formula | C26 H28 As2 Mn2 N6 S8 |
| Calculated formula | C26 H28 As2 Mn2 N6 S8 |
| SMILES | c1[n]2c3c4[n](cccc4ccc3cc1)[Mn]1342[S]2[As](S1)(=S)S[Mn]152([n]2cccc6ccc7ccc[n]1c7c26)[S]3[As](S5)(=S)S4.C[NH3+].C[NH3+] |
| Title of publication | Structural Diversity, Optical and Magnetic Properties of a Series of Manganese Thioarsenates with 1,10-Phenanthroline or 2,2'-Bipyridine Ligands: Using Monodentate Methylamine as an Alkalinity Regulator |
| Authors of publication | Guang-Ning Liu; Guo-Cong Guo; Feng Chen; Shuai-Hua Wang; Jing Sun; Jin-Shun Huang |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 472 - 482 |
| a | 9.7436 ± 0.0015 Å |
| b | 20.901 ± 0.003 Å |
| c | 8.6028 ± 0.0011 Å |
| α | 90° |
| β | 94.682 ± 0.011° |
| γ | 90° |
| Cell volume | 1746.1 ± 0.4 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 | 0.0589 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0942 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179381 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78. |
4327838.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4327838.cif |
| 76760 | 2013-03-21 | cif/ Adding structures of 4327838 via cif-deposit CGI script. |
4327838.cif |
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