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Information card for entry 4305634
Preview
| Coordinates | 4305634.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C82 H84 Cl8 Mo6 N2 O4 P2 S6 |
|---|---|
| Calculated formula | C82 H84 Cl8 Mo6 N2 O4 P2 S6 |
| SMILES | C(c1ccccc1)S[Mo]1234567[Cl]8[Mo]9%10%11%12%134([Cl]2[Mo]24%14%156%12([Cl]3[Mo]36%12%165%15([Cl]1[Mo]1578%13%16(SCc7ccccc7)[Cl]6[Mo]%11%14%125(SCc5ccccc5)([Cl]23)([Cl]94)[Cl]%101)SCc1ccccc1)SCc1ccccc1)SCc1ccccc1.N(=O)(=O)C.[P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)C.[P+](C)(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis and Study of Hexanuclear Molybdenum Clusters Containing Thiolate Ligands |
| Authors of publication | Lisa F. Szczepura; Karen A. Ketcham; Betty A. Ooro; Julia A. Edwards; Jeffrey N. Templeton; David L. Cedeño; Alan J. Jircitano |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 7271 - 7278 |
| a | 12.1574 ± 0.0016 Å |
| b | 13.4441 ± 0.0017 Å |
| c | 14.2132 ± 0.0018 Å |
| α | 89.654 ± 0.002° |
| β | 88.365 ± 0.002° |
| γ | 71.179 ± 0.002° |
| Cell volume | 2198 ± 0.5 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 466 ± 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 | 0.0895 |
| Residual factor for significantly intense reflections | 0.0303 |
| Weighted residual factors for significantly intense reflections | 0.0534 |
| Weighted residual factors for all reflections included in the refinement | 0.0573 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.651 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179094 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/56. |
4305634.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305634.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305634.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305634.cif |
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