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Information card for entry 4338564
Preview
| Coordinates | 4338564.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H51 As3 Fe N9 O7 S6 |
|---|---|
| Calculated formula | C40 H51 As3 Fe N9 O7 S6 |
| SMILES | [Fe]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[As]1(S[As](S[As](S1)[S-])[S-])[S-].O.O.O.O.O.O.O.NCCNCCN |
| 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 | 11.947 ± 0.002 Å |
| b | 13.444 ± 0.003 Å |
| c | 16.825 ± 0.003 Å |
| α | 104.361 ± 0.003° |
| β | 106.783 ± 0.004° |
| γ | 93.384 ± 0.004° |
| Cell volume | 2481.4 ± 0.8 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1161 |
| Residual factor for significantly intense reflections | 0.0768 |
| Weighted residual factors for significantly intense reflections | 0.1742 |
| Weighted residual factors for all reflections included in the refinement | 0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.144 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 210023 (current) | 2018-08-22 | cif/4/ Updating bibliography in entries 4302369-4302370, 4338564-4338565. Marking entries 4302369-4302370 as duplicates of entries 4302370, 4302369. |
4338564.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. |
4338564.cif |
| 114750 | 2014-05-29 | cif/ Adding structures of 4338564, 4338565 via cif-deposit CGI script. |
4338564.cif |
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