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Information card for entry 4338565
Preview
| Coordinates | 4338565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C60 H44 As2 Mn2 N10 O2 S5 |
|---|---|
| Calculated formula | C60 H44 As2 Mn2 N10 O2 S5 |
| Title of publication | Hydrothermal Syntheses and Characterizations of Thioarsenates [Fe(phen)~3~][As~3~S~6~]·dien·7H~2~O and [Mn~2~(phen)~4~(As~2~S~5~)]·phen·2H~2~O: A New Coordination Mode of the As~2~S~5~^4-^ Anion |
| Authors of publication | Pan, Yingli; Jin, Qinyan; Chen, Jiangfang; Zhang, Yong; Jia, Dingxian |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2009 |
| Journal volume | 48 |
| Journal issue | 12 |
| Pages of publication | 5412 - 5417 |
| a | 12.959 ± 0.002 Å |
| b | 20.696 ± 0.003 Å |
| c | 21.97 ± 0.004 Å |
| α | 90° |
| β | 99.173 ± 0.006° |
| γ | 90° |
| Cell volume | 5817 ± 1.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1007 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.1568 |
| Weighted residual factors for all reflections included in the refinement | 0.1669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.131 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338565.cif |
| 210023 | 2018-08-22 | cif/4/ Updating bibliography in entries 4302369-4302370, 4338564-4338565. Marking entries 4302369-4302370 as duplicates of entries 4302370, 4302369. |
4338565.cif |
| 179488 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/85. |
4338565.cif |
| 114750 | 2014-05-29 | cif/ Adding structures of 4338564, 4338565 via cif-deposit CGI script. |
4338565.cif |
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Users of the data should acknowledge the original authors of the
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