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Information card for entry 4325925
Preview
| Coordinates | 4325925.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C86 H61 Cr Mn3 N2 O14 P4 S2 |
|---|---|
| Calculated formula | C86 H61 Cr Mn3 N2 O14 P4 S2 |
| SMILES | C([Cr](C#[O])(C#[O])(C#[O])(C#[O])[S]12[Mn]34(C#[O])(C#[O])(C#[O])[H][Mn]513(C#[O])(C#[O])(C#[O])[Mn]2(C#[O])(C#[O])(C#[O])[S]45)#[O].c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Stepwise Construction of Manganese-Chromium Carbonyl Chalcogenide Complexes: Synthesis, Electrochemical Properties, and Computational Studies |
| Authors of publication | Minghuey Shieh; Chia-Yeh Miu; Kuo-Chih Huang; Chung-Feng Lee; Bao-Gun Chen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7735 - 7748 |
| a | 13.6111 ± 0.0006 Å |
| b | 14.6217 ± 0.0007 Å |
| c | 21.6738 ± 0.001 Å |
| α | 88.358 ± 0.002° |
| β | 87.626 ± 0.002° |
| γ | 82.321 ± 0.002° |
| Cell volume | 4269.9 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1334 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1329 |
| Weighted residual factors for all reflections included in the refinement | 0.1843 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179362 (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 4/32/59. |
4325925.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325925.cif |
| 46961 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325925 via cif-deposit CGI script. |
4325925.cif |
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Users of the data should acknowledge the original authors of the
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