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Information card for entry 4340411
Preview
| Coordinates | 4340411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H142 Mo6 O54 Rh2 S16 |
|---|---|
| Calculated formula | C76 H86 Mo6 O54 Rh2 S16 |
| SMILES | [c]12([c]3([Rh]45671([S]1[Mo]89%10%11(=O)([S]%12[Mo]%131%11(=O)(=O)(=O)[S]4[Mo]8%12%13(=O)(O[Mo]148%11(=O)(=O)[S]%12[Mo]%13%148(=O)(=O)(=O)[S]1[Rh]18%15%16%17([c]%18([c]1([c]8([c]%17([c]%15%18C)C)C)C)C)[S]%13[Mo]%11%12%14(=O)(O9)(=O)[S]4%16)(=O)[S]5%10)=O)[c]3([c]6([c]27C)C)C)C)C.[O-]S(=O)(=O)c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)([O-])c1ccc(cc1)C.O.O.O.O.O.O.O.O=S(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].S(=O)(=O)(c1ccc(cc1)C)[O-].O.O.O.O.O.O.O |
| Title of publication | Synthesis and characterization of a twin Cubane-type molybdenum-rhodium-sulfur cluster, [{Mo3RhCp*S4(H2O)7(O)}2]8+. X-ray structure of [{Mo3RhCpS4(H2O7O}2](CH3C6H4SO3)(8).14H2O. |
| Authors of publication | Akashi, Haruo; Isobe, Kiyoshi; Shibahara, Takashi |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Journal issue | 10 |
| Pages of publication | 3494 - 3498 |
| a | 12.2631 ± 0.0008 Å |
| b | 15.911 ± 0.001 Å |
| c | 17.389 ± 0.003 Å |
| α | 63.704 ± 0.003° |
| β | 78.688 ± 0.002° |
| γ | 81.038 ± 0.002° |
| Cell volume | 2973.5 ± 0.6 Å3 |
| Cell temperature | 93.1 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 significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.163 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297473 (current) | 2025-01-26 | cif: Fixing a few Z values and formulae |
4340411.cif |
| 210285 | 2018-09-01 | cif/ Updating bibliography in entries 1100716, 4340411. Marking entry 4340411 as a duplicate of entry 1100716. |
4340411.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4340411.cif |
| 119836 | 2014-07-09 | cif/ Adding structures of 4340411 via cif-deposit CGI script. |
4340411.cif |
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