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Information card for entry 4319822
Preview
| Coordinates | 4319822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H28 Mo3 O5 Ru S5 |
|---|---|
| Calculated formula | C27 H28 Mo3 O5 Ru S5 |
| SMILES | [Mo]123456([S]7[Mo]89%10%11%12([S]%13[Mo]%14%15%16%17([S]1[Ru]7%13(C#[O])C#[O])([S]28)[cH]1[cH]%14[c]%15([cH]%16[cH]%171)C)[cH]1[c]9([cH]%10[cH]%11[cH]%121)C)[cH]1[cH]3[cH]4[cH]5[c]16C.S(=O)(=O)([O-])c1ccc(cc1)C |
| Title of publication | Heterobimetallic, Cubane-like Mo3S4M' Cluster Cores Containing the Noble Metals M' = Ru, Os, Rh, Ir. Unprecedented Tri(μ-carbonyl) Bridge Between Ruthenium Atoms in [{(η5-Cp')3Mo3S4Ru}2(μ-CO)3]2+ |
| Authors of publication | Konrad Herbst; Magda Monari; Michael Brorson |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 2979 - 2985 |
| a | 10.812 ± 0.002 Å |
| b | 10.868 ± 0.002 Å |
| c | 15.158 ± 0.003 Å |
| α | 73.09 ± 0.03° |
| β | 69.75 ± 0.03° |
| γ | 87.51 ± 0.03° |
| Cell volume | 1595.5 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1548 |
| Residual factor for significantly intense reflections | 0.0527 |
| Weighted residual factors for significantly intense reflections | 0.0936 |
| Weighted residual factors for all reflections included in the refinement | 0.114 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.798 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179278 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/98. |
4319822.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319822.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319822.cif |
| 16627 | 2011-03-25 | ../uploads/cif-deposit/cod/cif Adding structures of 4319822 via cif-deposit CGI script. |
4319822.cif |
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Users of the data should acknowledge the original authors of the
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